4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid
TL;DR: 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid (CAS 380461-78-9) is a chemical compound with molecular formula C28H24N4O5S2 and molecular weight 560.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid, 4-[2-({3-CYANO-5-[(2-METHOXYPHENYL)CARBAMOYL]-6-METHYL-4-(THIOPHEN-2-YL)-1,4-DIHYDROPYRIDIN-2-YL}SULFANYL)ACETAMIDO]BENZOIC ACID, 4-[[2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoic acid, 4-{[({3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetyl]amino}benzoic acid, p-({[3-cyano-6-methyl-5-(N-o-methoxyphenylcarbamoyl)-4-(2-thienyl)-1,4-dihydro-2-pyridylthio]methyl}carbonylamino)benzoic acid
| Molecular Formula | C28H24N4O5S2 |
|---|---|
| Molecular Weight | 560.12 g/mol |
| LogP | 5.16148 |
| Topological Polar Surface Area | 140.55 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.11884 |
| Heavy Atoms | 39 |
| Complexity | 1505.4005 |
Chemical Identifiers
| CAS Number | 380461-78-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4OC |
Product Overview
4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid (CAS 380461-78-9), with molecular formula C28H24N4O5S2 and molecular weight 560.12 g/mol. IUPAC: 4-[[2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid
Property Insights of 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid
The XLogP value of 5.16148 indicates that 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.55 Ų indicates high polarity, suggesting 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid?
The CAS number of 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid is 380461-78-9.
What is the molecular formula of 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid?
The molecular formula of 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid is C28H24N4O5S2.
What is the molecular weight of 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid?
The molecular weight of 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid is 560.12 g/mol.
Where can I buy 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid?
You can request a quote for 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((3-cyano-5-((2-methoxyphenyl)carbamoyl)-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.