![6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid structure](/static/products/1005/1005178-04-0.webp)
6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
TL;DR: 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CAS 1005178-04-0) is a chemical compound with molecular formula C25H29NO5S and molecular weight 455.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-ethoxycarbonyl-5-(1-phenylethyl)thiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid, 6-[[3-ethoxycarbonyl-5-(1-phenylethyl)thiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid, 6-((3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid, 6-({[3-(ethoxycarbonyl)-5-(1-phenylethyl)-2-thienyl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid, 6-{N-[3-(ethoxycarbonyl)-5-(phenylethyl)(2-thienyl)]carbamoyl}-3,4-dimethylcyc lohex-3-enecarboxylic acid
| Molecular Formula | C25H29NO5S |
|---|---|
| Molecular Weight | 455.18 g/mol |
| LogP | 5.4623 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.17664 |
| Heavy Atoms | 32 |
| Complexity | 1039.8567 |
Chemical Identifiers
| CAS Number | 1005178-04-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)C3CC(=C(CC3C(=O)O)C)C |
Product Overview
6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CAS 1005178-04-0), with molecular formula C25H29NO5S and molecular weight 455.18 g/mol. IUPAC: 6-[[3-ethoxycarbonyl-5-(1-phenylethyl)thiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Property Insights of 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
The XLogP value of 5.4623 indicates that 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)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 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid has 2 hydrogen bond donor(s) and 5 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-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is 1005178-04-0.
What is the molecular formula of 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is C25H29NO5S.
What is the molecular weight of 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is 455.18 g/mol.
Where can I buy 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)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-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)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.