1,3-Butanediol, 2-methyl-
TL;DR: 1,3-Butanediol, 2-methyl- (CAS 684-84-4) 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-1,3-diol
Also Known As: 2-Methyl-1,3-butanediol, 2-methylbutane-1,3-diol, 1,3-Butanediol,2-methyl-, 2-Methylbutanediol-1,3, 1,3-BUTANEDIOL, 2-METHYL-
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 0.1 |
| 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 | 45.0 |
Chemical Identifiers
| CAS Number | 684-84-4 |
|---|---|
| SMILES | CC(CO)C(C)O |
| InChIKey | GNBPEYCZELNJMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butanediol, 2-methyl- (CAS 684-84-4), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 2-methylbutane-1,3-diol.
Chemical Property Profile of 1,3-Butanediol, 2-methyl-
Property Insights of 1,3-Butanediol, 2-methyl-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanediol, 2-methyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Butanediol, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanediol, 2-methyl- 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 1,3-Butanediol, 2-methyl-?
The CAS number of 1,3-Butanediol, 2-methyl- is 684-84-4.
What is the molecular formula of 1,3-Butanediol, 2-methyl-?
The molecular formula of 1,3-Butanediol, 2-methyl- is C5H12O2.
What is the molecular weight of 1,3-Butanediol, 2-methyl-?
The molecular weight of 1,3-Butanediol, 2-methyl- is 104.08 g/mol.
Where can I buy 1,3-Butanediol, 2-methyl-?
You can request a quote for 1,3-Butanediol, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanediol, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanediol, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.