Heptyl 12-hydroxyoctadec-9-enoate
TL;DR: Heptyl 12-hydroxyoctadec-9-enoate (CAS 98167-55-6) is a chemical compound with molecular formula C25H48O3 and molecular weight 396.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 12-hydroxyoctadec-9-enoate
Also Known As: Heptyl 12-hydroxyoleate, heptyl (Z)-12-hydroxyoctadec-9-enoate, Heptyl 12-hydroxyoleate, , CID6437779, 98167-55-6, Heptyl 12-hydroxyoleate, EINECS 308-640-5, CID6437779, 98167-55-6
| Molecular Formula | C25H48O3 |
|---|---|
| Molecular Weight | 396.36 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Exact Mass | 396.36035 |
| Heavy Atoms | 28 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 98167-55-6 |
|---|---|
| SMILES | CCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O |
| InChIKey | JYZMEVOAJGJTKL-UHFFFAOYSA-N |
Product Overview
Heptyl 12-hydroxyoctadec-9-enoate (CAS 98167-55-6), with molecular formula C25H48O3 and molecular weight 396.36 g/mol. IUPAC: heptyl 12-hydroxyoctadec-9-enoate.
Chemical Property Profile of Heptyl 12-hydroxyoctadec-9-enoate
Property Insights of Heptyl 12-hydroxyoctadec-9-enoate
The XLogP value of 8.9 indicates that Heptyl 12-hydroxyoctadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Heptyl 12-hydroxyoctadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 12-hydroxyoctadec-9-enoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptyl 12-hydroxyoctadec-9-enoate?
The CAS number of Heptyl 12-hydroxyoctadec-9-enoate is 98167-55-6.
What is the molecular formula of Heptyl 12-hydroxyoctadec-9-enoate?
The molecular formula of Heptyl 12-hydroxyoctadec-9-enoate is C25H48O3.
What is the molecular weight of Heptyl 12-hydroxyoctadec-9-enoate?
The molecular weight of Heptyl 12-hydroxyoctadec-9-enoate is 396.36 g/mol.
Where can I buy Heptyl 12-hydroxyoctadec-9-enoate?
You can request a quote for Heptyl 12-hydroxyoctadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 12-hydroxyoctadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 12-hydroxyoctadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.