![3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid structure](/static/products/1005/1005103-91-2.webp)
3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
TL;DR: 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005103-91-2) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Also Known As: 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid, 3-{[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid, 2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 3.00304 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 765.7611 |
Chemical Identifiers
| CAS Number | 1005103-91-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2C3CCC(C2C(=O)O)C=C3)C |
Product Overview
3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005103-91-2), with molecular formula C18H21NO5S and molecular weight 363.11 g/mol. IUPAC: 3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Property Insights of 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
The XLogP value of 3.00304 indicates that 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-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 3-({[3-(methoxycarbonyl)-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-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 5 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-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The CAS number of 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 1005103-91-2.
What is the molecular formula of 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular formula of 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is C18H21NO5S.
What is the molecular weight of 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular weight of 3-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 363.11 g/mol.
Where can I buy 3-({[3-(methoxycarbonyl)-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-(methoxycarbonyl)-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-(methoxycarbonyl)-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-(methoxycarbonyl)-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.