Allyl 6-hydroxyhexanoate
TL;DR: Allyl 6-hydroxyhexanoate (CAS 73077-91-5) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-hydroxyhexanoate
Also Known As: Allyl 6-hydroxyhexanoate, Allyl6-hydroxyhexanoate, prop-2-enyl 6-hydroxyhexanoate, EINECS 277-278-7, PROP-2-EN-1-YL 6-HYDROXYHEXANOATE
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.2683 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 131.73534 |
Chemical Identifiers
| CAS Number | 73077-91-5 |
|---|---|
| SMILES | C=CCOC(=O)CCCCCO |
Product Overview
Allyl 6-hydroxyhexanoate (CAS 73077-91-5), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: prop-2-enyl 6-hydroxyhexanoate.
Chemical Property Profile of Allyl 6-hydroxyhexanoate
Property Insights of Allyl 6-hydroxyhexanoate
The XLogP value of 1.2683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 6-hydroxyhexanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Allyl 6-hydroxyhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 6-hydroxyhexanoate has 1 hydrogen bond donor(s) and 3 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 Allyl 6-hydroxyhexanoate?
The CAS number of Allyl 6-hydroxyhexanoate is 73077-91-5.
What is the molecular formula of Allyl 6-hydroxyhexanoate?
The molecular formula of Allyl 6-hydroxyhexanoate is C9H16O3.
What is the molecular weight of Allyl 6-hydroxyhexanoate?
The molecular weight of Allyl 6-hydroxyhexanoate is 172.11 g/mol.
Where can I buy Allyl 6-hydroxyhexanoate?
You can request a quote for Allyl 6-hydroxyhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 6-hydroxyhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 6-hydroxyhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.