![3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/4968/496835-28-0.webp)
3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 496835-28-0) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((4-(3,4-dimethylphenyl)-5-methylthiazol-2-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}bicyclo[2.2.1 ]hept-5-ene-2-carboxylic acid
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 4.19676 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 962.3315 |
Chemical Identifiers
| CAS Number | 496835-28-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C)C |
Product Overview
3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 496835-28-0), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: 3-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 4.19676 indicates that 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]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 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 496835-28-0.
What is the molecular formula of 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C21H22N2O3S.
What is the molecular weight of 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 382.14 g/mol.
Where can I buy 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]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-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]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.