Butyl 12-hydroxyoctadec-9-enoate
TL;DR: Butyl 12-hydroxyoctadec-9-enoate (CAS 151-13-3) is a chemical compound with molecular formula C22H42O3 and molecular weight 354.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 12-hydroxyoctadec-9-enoate
Also Known As: BUTYL RICINOLEATE, n-Butyl ricinoleate, butyl 12-hydroxyoctadec-9-enoate, (R,Z)-Butyl 12-hydroxyoctadec-9-enoate, N-BUTYLRICINOLEATE, PRACT
| Molecular Formula | C22H42O3 |
|---|---|
| Molecular Weight | 354.31 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 354.3134 |
| Heavy Atoms | 25 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 151-13-3 |
|---|---|
| SMILES | CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)O |
| InChIKey | HGWAKQDTQVDVRP-UHFFFAOYSA-N |
Product Overview
Butyl 12-hydroxyoctadec-9-enoate (CAS 151-13-3), with molecular formula C22H42O3 and molecular weight 354.31 g/mol. IUPAC: butyl 12-hydroxyoctadec-9-enoate.
Chemical Property Profile of Butyl 12-hydroxyoctadec-9-enoate
Property Insights of Butyl 12-hydroxyoctadec-9-enoate
The XLogP value of 7.3 indicates that Butyl 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, Butyl 12-hydroxyoctadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl 12-hydroxyoctadec-9-enoate?
The CAS number of Butyl 12-hydroxyoctadec-9-enoate is 151-13-3.
What is the molecular formula of Butyl 12-hydroxyoctadec-9-enoate?
The molecular formula of Butyl 12-hydroxyoctadec-9-enoate is C22H42O3.
What is the molecular weight of Butyl 12-hydroxyoctadec-9-enoate?
The molecular weight of Butyl 12-hydroxyoctadec-9-enoate is 354.31 g/mol.
Where can I buy Butyl 12-hydroxyoctadec-9-enoate?
You can request a quote for Butyl 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 Butyl 12-hydroxyoctadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 12-hydroxyoctadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.