![3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid structure](/static/products/1005/1005178-10-8.webp)
3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
TL;DR: 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005178-10-8) is a chemical compound with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Also Known As: 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid, 3-((3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-[N-(3-carbamoyl-4,5-dimethyl-2-thienyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-c arboxylic acid
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 2.31534 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 752.01685 |
Chemical Identifiers
| CAS Number | 1005178-10-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C2C3CCC(C2C(=O)O)C=C3)C |
Product Overview
3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005178-10-8), with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol. IUPAC: 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Property Insights of 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
The XLogP value of 2.31534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid has 3 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-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The CAS number of 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 1005178-10-8.
What is the molecular formula of 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular formula of 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is C17H20N2O4S.
What is the molecular weight of 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular weight of 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 348.11 g/mol.
Where can I buy 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
You can request a quote for 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-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-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.