S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine
TL;DR: S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine (CAS 77165-74-3) is a chemical compound with molecular formula C25H42N2O6S and molecular weight 498.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11-trienoic acid
Also Known As: Leukotriene D-3, S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine, 6-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11-trienoic acid, (5S,7E,9E,11Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11-trienoic acid, Glycine, S-[(1R,2E,4E,6Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6-pentadecatrienyl]-L-cysteinyl-
| Molecular Formula | C25H42N2O6S |
|---|---|
| Molecular Weight | 498.28 g/mol |
| LogP | 3.6513 |
| Topological Polar Surface Area | 149.95 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 498.27637 |
| Heavy Atoms | 34 |
| Complexity | 665.7913 |
Chemical Identifiers
| CAS Number | 77165-74-3 |
|---|---|
| SMILES | CCCCCCCCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N |
Product Overview
S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine (CAS 77165-74-3), with molecular formula C25H42N2O6S and molecular weight 498.28 g/mol. IUPAC: 6-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11-trienoic acid.
Chemical Property Profile of S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine
Property Insights of S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine
The XLogP value of 3.6513 indicates that S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.95 Ų indicates high polarity, suggesting S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine has 5 hydrogen bond donor(s) and 6 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 S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine?
The CAS number of S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine is 77165-74-3.
What is the molecular formula of S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine?
The molecular formula of S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine is C25H42N2O6S.
What is the molecular weight of S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine?
The molecular weight of S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine is 498.28 g/mol.
Where can I buy S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine?
You can request a quote for S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine?
Yes, KEHONG BIO provides custom synthesis services for S-(1-Carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl)cysteinylglycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.