13(S)-HOTrE
TL;DR: 13(S)-HOTrE (CAS 133397-69-0) is a chemical compound with molecular formula C18H30O3 and molecular weight 294.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9Z,11E,13R,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
Also Known As: 13(S)-HOTrE, 13(R)-Hydroxy-octadeca-(9Z,11E,15Z)trien-oic acid, (9Z,11E,13R,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid, (9Z,11E,13R,15Z)-13-Hydroxy-9,11,15-octadecatrienoic acid, 13(r)-hydroxy-octadeca-(9z,11e,15z)-trien-oic acid
| Molecular Formula | C18H30O3 |
|---|---|
| Molecular Weight | 294.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 294.21948 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 133397-69-0 |
|---|---|
| SMILES | CC/C=C\C[C@H](/C=C/C=C\CCCCCCCC(=O)O)O |
| InChIKey | KLLGGGQNRTVBSU-YVCRHRKHSA-N |
Product Overview
13(S)-HOTrE (CAS 133397-69-0), with molecular formula C18H30O3 and molecular weight 294.22 g/mol. IUPAC: (9Z,11E,13R,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid.
Chemical Property Profile of 13(S)-HOTrE
Property Insights of 13(S)-HOTrE
The XLogP value of 4.8 indicates that 13(S)-HOTrE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 13(S)-HOTrE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13(S)-HOTrE has 2 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 13(S)-HOTrE?
The CAS number of 13(S)-HOTrE is 133397-69-0.
What is the molecular formula of 13(S)-HOTrE?
The molecular formula of 13(S)-HOTrE is C18H30O3.
What is the molecular weight of 13(S)-HOTrE?
The molecular weight of 13(S)-HOTrE is 294.22 g/mol.
Where can I buy 13(S)-HOTrE?
You can request a quote for 13(S)-HOTrE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13(S)-HOTrE?
Yes, KEHONG BIO provides custom synthesis services for 13(S)-HOTrE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.