4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid
TL;DR: 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid (CAS 134733-55-4) is a chemical compound with molecular formula C27H36O5S and molecular weight 472.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid
Also Known As: Bay u9773, BAY-u 9773, 4-(1,5-dihydroxy-1-oxoicosa-7,9,11,14-tetraen-6-yl)sulfanylbenzoic acid, 6(r)-(4-carboxyphenylthio)-5(s)-hydroxy-7(e),9(e),11(z),14(z)-eicosatetraenoic acid, 4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}benzoic acid
| Molecular Formula | C27H36O5S |
|---|---|
| Molecular Weight | 472.23 g/mol |
| LogP | 6.6565 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 472.22833 |
| Heavy Atoms | 33 |
| Complexity | 808.30554 |
Chemical Identifiers
| CAS Number | 134733-55-4 |
|---|---|
| SMILES | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SC1=CC=C(C=C1)C(=O)O |
Product Overview
4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid (CAS 134733-55-4), with molecular formula C27H36O5S and molecular weight 472.23 g/mol. IUPAC: 4-(1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid.
Chemical Property Profile of 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid
Property Insights of 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid
The XLogP value of 6.6565 indicates that 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid. Following Lipinski's Rule of Five, 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid?
The CAS number of 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid is 134733-55-4.
What is the molecular formula of 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid?
The molecular formula of 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid is C27H36O5S.
What is the molecular weight of 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid?
The molecular weight of 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid is 472.23 g/mol.
Where can I buy 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid?
You can request a quote for 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.