![5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid structure](/static/products/103/1036069-31-4.png)
5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid
TL;DR: 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid (CAS 1036069-31-4) is a chemical compound with molecular formula C47H66O6 and molecular weight 726.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-(3-carboxy-4-methoxyphenyl)-4-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxybenzoic acid
Also Known As: 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid, Benzoic acid, 3,3'-(4-cholestan-3-yl-1-butenylidene)bis[6-methoxy-, 5-[1-(3-carboxy-4-methoxyphenyl)-4-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxybenzoic acid
| Molecular Formula | C47H66O6 |
|---|---|
| Molecular Weight | 726.49 g/mol |
| LogP | 14.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 726.48596 |
| Heavy Atoms | 53 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 1036069-31-4 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C=C5)OC)C(=O)O)C6=CC(=C(C=C6)OC)C(=O)O)C)C |
| InChIKey | UZABHMIAJNJZOO-UHFFFAOYSA-N |
Product Overview
5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid (CAS 1036069-31-4), with molecular formula C47H66O6 and molecular weight 726.49 g/mol. IUPAC: 5-[1-(3-carboxy-4-methoxyphenyl)-4-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxybenzoic acid.
Chemical Property Profile of 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid
Property Insights of 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid
The XLogP value of 14.8 indicates that 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid. Following Lipinski's Rule of Five, 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid?
The CAS number of 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid is 1036069-31-4.
What is the molecular formula of 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid?
The molecular formula of 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid is C47H66O6.
What is the molecular weight of 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid?
The molecular weight of 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid is 726.49 g/mol.
Where can I buy 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid?
You can request a quote for 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(3-carboxy-4-methoxy-phenyl)-4-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.