Hepoxillin A3-D
TL;DR: Hepoxillin A3-D (CAS 135819-58-8) is a chemical compound with molecular formula C25H42N2O7S and molecular weight 514.2713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-8,12-dihydroxyicosa-5,9,14-trienoic acid
Also Known As: Hepoxillin A3-D, Hxa3-D, 8,12-Dihydroxy-11-cysteinylglycinyleicosa-5,9,14-trienoic acid, (5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-8,12-dihydroxyicosa-5,9,14-trienoic acid, Glycine, N-(S-(10-carboxy-4-hydroxy-1-(1-hydroxy-3-nonenyl)-2,6-decadienyl)-L-cysteinyl)-
Technical Specifications
| Molecular Formula | C25H42N2O7S |
| Molecular Weight | 514.2713 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Exact Mass | 514.2713 Da |
| Heavy Atoms | 35 |
| Complexity | 697.0 |
| SMILES | CCCCC/C=C/CC(C(/C=C/C(C/C=C/CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N)O |
| InChIKey | BIWALBLSFARGON-GHTRGEPCSA-N |
Chemical Property Profile of Hepoxillin A3-D
Property Insights of Hepoxillin A3-D
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hepoxillin A3-D. The TPSA of 195.0 Ų indicates high polarity, suggesting Hepoxillin A3-D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hepoxillin A3-D has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hepoxillin A3-D?
The CAS number of Hepoxillin A3-D is 135819-58-8.
What is the molecular formula of Hepoxillin A3-D?
The molecular formula of Hepoxillin A3-D is C25H42N2O7S.
What is the molecular weight of Hepoxillin A3-D?
The molecular weight of Hepoxillin A3-D is 514.2713 g/mol.
Where can I buy Hepoxillin A3-D?
You can request a quote for Hepoxillin A3-D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hepoxillin A3-D?
Yes, CoreyChem provides custom synthesis services for Hepoxillin A3-D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.