![3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/1005/1005177-80-9.webp)
3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005177-80-9) is a chemical compound with molecular formula C24H24N2O3S and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(N-{3-cyano-5-methyl-4-[4-(methylethyl)phenyl]-2-thienyl}carbamoyl)bicyclo[2 .2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C24H24N2O3S |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 5.18 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.15076 |
| Heavy Atoms | 30 |
| Complexity | 1075.1061 |
Chemical Identifiers
| CAS Number | 1005177-80-9 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3)C#N)C4=CC=C(C=C4)C(C)C |
Product Overview
3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005177-80-9), with molecular formula C24H24N2O3S and molecular weight 420.15 g/mol. IUPAC: 3-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 5.18 indicates that 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 2 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 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005177-80-9.
What is the molecular formula of 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C24H24N2O3S.
What is the molecular weight of 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 420.15 g/mol.
Where can I buy 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.