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 472.22833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C27H36O5S |
| Molecular Weight | 472.22833 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 472.22833 Da |
| Heavy Atoms | 33 |
| Complexity | 659.0 |
| SMILES | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SC1=CC=C(C=C1)C(=O)O |
| InChIKey | PKJINWOACFYDQN-UHFFFAOYSA-N |
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 6.7 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 120.0 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 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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 472.22833 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)sulfanylbenzoic acid?
Yes, CoreyChem 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.