4-(Hexyloxy)-1-butanol
TL;DR: 4-(Hexyloxy)-1-butanol (CAS 4541-13-3) 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.
4-hexoxybutan-1-ol
Also Known As: 4-hexoxybutan-1-ol, 4-(HEXYLOXY)-1-BUTANOL, 5-Oxaundecan-1-ol, 4-Hexyloxy-1-butanol, 4-n-Hexoxy-1-butanol
| Molecular Formula | C10H22O2 |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 4541-13-3 |
|---|---|
| SMILES | CCCCCCOCCCCO |
| InChIKey | NTRCGACLCLJKBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Hexyloxy)-1-butanol (CAS 4541-13-3), with molecular formula C10H22O2 and molecular weight 174.16 g/mol. IUPAC: 4-hexoxybutan-1-ol.
Chemical Property Profile of 4-(Hexyloxy)-1-butanol
Property Insights of 4-(Hexyloxy)-1-butanol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Hexyloxy)-1-butanol. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(Hexyloxy)-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Hexyloxy)-1-butanol has 1 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 4-(Hexyloxy)-1-butanol?
The CAS number of 4-(Hexyloxy)-1-butanol is 4541-13-3.
What is the molecular formula of 4-(Hexyloxy)-1-butanol?
The molecular formula of 4-(Hexyloxy)-1-butanol is C10H22O2.
What is the molecular weight of 4-(Hexyloxy)-1-butanol?
The molecular weight of 4-(Hexyloxy)-1-butanol is 174.16 g/mol.
Where can I buy 4-(Hexyloxy)-1-butanol?
You can request a quote for 4-(Hexyloxy)-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hexyloxy)-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hexyloxy)-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.