3-Methyl-1,2-butanediol
TL;DR: 3-Methyl-1,2-butanediol (CAS 50468-22-9) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutane-1,2-diol
Also Known As: 3-Methylbutane-1,2-diol, Isopropylglykol, 3-methyl-1,2-butanediol, 1,2-Butanediol,3-methyl-, 1,2-dihydroxy-3-methylbutane
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 50468-22-9 |
|---|---|
| SMILES | CC(C)C(CO)O |
| InChIKey | HJJZIMFAIMUSBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1,2-butanediol (CAS 50468-22-9), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 3-methylbutane-1,2-diol.
Chemical Property Profile of 3-Methyl-1,2-butanediol
Property Insights of 3-Methyl-1,2-butanediol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2-butanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Methyl-1,2-butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,2-butanediol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methyl-1,2-butanediol?
The CAS number of 3-Methyl-1,2-butanediol is 50468-22-9.
What is the molecular formula of 3-Methyl-1,2-butanediol?
The molecular formula of 3-Methyl-1,2-butanediol is C5H12O2.
What is the molecular weight of 3-Methyl-1,2-butanediol?
The molecular weight of 3-Methyl-1,2-butanediol is 104.08 g/mol.
Where can I buy 3-Methyl-1,2-butanediol?
You can request a quote for 3-Methyl-1,2-butanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,2-butanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.