1,4-Butanediol, 2-hexyl-
TL;DR: 1,4-Butanediol, 2-hexyl- (CAS 18755-31-2) is a chemical compound with molecular formula C10H22O2 and molecular weight 174.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylbutane-1,4-diol
Also Known As: 2-hexylbutane-1,4-diol, 1,4-Butanediol, 2-hexyl-, 1,4-Butanediol,2-hexyl, 1,4-Butanediol, 2-hexyl-,
| Molecular Formula | C10H22O2 |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 18755-31-2 |
|---|---|
| SMILES | CCCCCCC(CCO)CO |
| InChIKey | WOEATUVURMLOMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Butanediol, 2-hexyl- (CAS 18755-31-2), with molecular formula C10H22O2 and molecular weight 174.16 g/mol. IUPAC: 2-hexylbutane-1,4-diol.
Chemical Property Profile of 1,4-Butanediol, 2-hexyl-
Property Insights of 1,4-Butanediol, 2-hexyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanediol, 2-hexyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,4-Butanediol, 2-hexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanediol, 2-hexyl- 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 1,4-Butanediol, 2-hexyl-?
The CAS number of 1,4-Butanediol, 2-hexyl- is 18755-31-2.
What is the molecular formula of 1,4-Butanediol, 2-hexyl-?
The molecular formula of 1,4-Butanediol, 2-hexyl- is C10H22O2.
What is the molecular weight of 1,4-Butanediol, 2-hexyl-?
The molecular weight of 1,4-Butanediol, 2-hexyl- is 174.16 g/mol.
Where can I buy 1,4-Butanediol, 2-hexyl-?
You can request a quote for 1,4-Butanediol, 2-hexyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanediol, 2-hexyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanediol, 2-hexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.