![6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid structure](/static/products/4381/438196-43-1.webp)
6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
TL;DR: 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CAS 438196-43-1) is a chemical compound with molecular formula C25H30N2O4S and molecular weight 454.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-carbamoyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid, 6-((3-carbamoyl-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid, 6-({[3-(aminocarbonyl)-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid, 6-(N-{3-carbamoyl-5-methyl-4-[4-(methylethyl)phenyl](2-thienyl)}carbamoyl)-3,4 -dimethylcyclohex-3-enecarboxylic acid, 6-[[3-carbamoyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C25H30N2O4S |
|---|---|
| Molecular Weight | 454.19 g/mol |
| LogP | 5.33152 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.19263 |
| Heavy Atoms | 32 |
| Complexity | 1095.8904 |
Chemical Identifiers
| CAS Number | 438196-43-1 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)C(C)C)C(=O)N)C(=O)O)C |
Product Overview
6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CAS 438196-43-1), with molecular formula C25H30N2O4S and molecular weight 454.19 g/mol. IUPAC: 6-[[3-carbamoyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Property Insights of 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
The XLogP value of 5.33152 indicates that 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid has 3 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 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is 438196-43-1.
What is the molecular formula of 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is C25H30N2O4S.
What is the molecular weight of 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is 454.19 g/mol.
Where can I buy 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.