propan-2-yl (12R)-12-hydroxyoctadec-9-enoate
TL;DR: propan-2-yl (12R)-12-hydroxyoctadec-9-enoate (CAS 71685-99-9) is a chemical compound with molecular formula C21H40O3 and molecular weight 340.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (12R)-12-hydroxyoctadec-9-enoate
Also Known As: Isopropyl ricinoleate, Isopropyl (R)-12-hydroxyoleate, Isopropyl (R)- 12- hydroxyoleate, Propan-2-yl (12R)-12-hydroxyoctadec-9-enoate, 12-Hydroxy-9-octadecenoic acid, 1-methylethyl ester
| Molecular Formula | C21H40O3 |
|---|---|
| Molecular Weight | 340.30 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 340.29776 |
| Heavy Atoms | 24 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 71685-99-9 |
|---|---|
| SMILES | CCCCCC[C@H](CC=CCCCCCCCC(=O)OC(C)C)O |
| InChIKey | SDYPTODXHIAHDF-HXUWFJFHSA-N |
Product Overview
propan-2-yl (12R)-12-hydroxyoctadec-9-enoate (CAS 71685-99-9), with molecular formula C21H40O3 and molecular weight 340.30 g/mol. IUPAC: propan-2-yl (12R)-12-hydroxyoctadec-9-enoate.
Chemical Property Profile of propan-2-yl (12R)-12-hydroxyoctadec-9-enoate
Property Insights of propan-2-yl (12R)-12-hydroxyoctadec-9-enoate
The XLogP value of 6.9 indicates that propan-2-yl (12R)-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, propan-2-yl (12R)-12-hydroxyoctadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propan-2-yl (12R)-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 propan-2-yl (12R)-12-hydroxyoctadec-9-enoate?
The CAS number of propan-2-yl (12R)-12-hydroxyoctadec-9-enoate is 71685-99-9.
What is the molecular formula of propan-2-yl (12R)-12-hydroxyoctadec-9-enoate?
The molecular formula of propan-2-yl (12R)-12-hydroxyoctadec-9-enoate is C21H40O3.
What is the molecular weight of propan-2-yl (12R)-12-hydroxyoctadec-9-enoate?
The molecular weight of propan-2-yl (12R)-12-hydroxyoctadec-9-enoate is 340.30 g/mol.
Where can I buy propan-2-yl (12R)-12-hydroxyoctadec-9-enoate?
You can request a quote for propan-2-yl (12R)-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 propan-2-yl (12R)-12-hydroxyoctadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl (12R)-12-hydroxyoctadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.