2-Methyl-1,4-butanediol
TL;DR: 2-Methyl-1,4-butanediol (CAS 2938-98-9) 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.
2-methylbutane-1,4-diol
Also Known As: 2-Methyl-1,4-butanediol, 2-Methylbutane-1,4-diol, Amylene glycol, 1,4-BUTANEDIOL, 2-METHYL-, (R)-2-Methyl-1,4-butanediol
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 2938-98-9 |
|---|---|
| SMILES | CC(CCO)CO |
| InChIKey | MWCBGWLCXSUTHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1,4-butanediol (CAS 2938-98-9), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 2-methylbutane-1,4-diol.
Chemical Property Profile of 2-Methyl-1,4-butanediol
Property Insights of 2-Methyl-1,4-butanediol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,4-butanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Methyl-1,4-butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,4-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 2-Methyl-1,4-butanediol?
The CAS number of 2-Methyl-1,4-butanediol is 2938-98-9.
What is the molecular formula of 2-Methyl-1,4-butanediol?
The molecular formula of 2-Methyl-1,4-butanediol is C5H12O2.
What is the molecular weight of 2-Methyl-1,4-butanediol?
The molecular weight of 2-Methyl-1,4-butanediol is 104.08 g/mol.
Where can I buy 2-Methyl-1,4-butanediol?
You can request a quote for 2-Methyl-1,4-butanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,4-butanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,4-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.