General
Preferred name
Butan-2,3-diol
Synonyms
2,3-Butanediol ()
Dimethylene glycol ()
2,3-Dihydroxybutane ()
2,3-Butylene glycol ()
2,3-Butanediol (mixture of isomers) ()
P&D ID
PD124097
CAS
35007-63-7
513-85-9
6982-25-8
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 2,3-Butanediol is microbially derived compound that is a discriminating urinary biomarker of Fmo5-/- mice. 2,3-Butanediol prevents age-related increases in the plasma concentration of cholesterol. 2,3-Butanediol has potential applications in the manufacture of printing inks, perfumes, fumigants, moistening and softening agents, plasticizers, and as a carrier for pharmaceuticals[1][2].
PRICE 29
DESCRIPTION 2,3-Butanediol, derived from the bioconversion of natural resources, holds significant potential for various industries, including chemical, cosmetics, agriculture, and pharmaceutical sectors. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-128387
Selleckchem Bioactive Compound Library
butanediol-mixture-of-isomers
TargetMol Bioactive Compound Library
T19094
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
90.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.25
TPSA
40.46
Fraction CSP3
1.0
Chiral centers
2.0
Largest ring
0.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Akt
CB1
Human Endogenous Metabolite
PPARĪ³
Endogenous Metabolite
Pathway
Cytoskeletal Signaling
DNA Damage/DNA Repair
GPCR/G protein
Metabolism
PI3K/Akt/mTOR signaling
Metabolic Enzyme/Protease
Source data