![3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid structure](/static/products/100/1005153-49-0.png)
3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
TL;DR: 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005153-49-0) is a chemical compound with molecular formula C15H17NO3S and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Also Known As: 2-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-3-carboxylic acid, 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 7-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.2]oct-2-ene-8-carboxylic Acid, 3-((thiophen-2-ylmethyl)carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-[(thiophen-2-ylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
| Molecular Formula | C15H17NO3S |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 2.2773 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.09293 |
| Heavy Atoms | 20 |
| Complexity | 537.32336 |
Chemical Identifiers
| CAS Number | 1005153-49-0 |
|---|---|
| SMILES | C1CC2C=CC1C(C2C(=O)O)C(=O)NCC3=CC=CS3 |
Product Overview
3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005153-49-0), with molecular formula C15H17NO3S and molecular weight 291.09 g/mol. IUPAC: 3-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Property Insights of 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
The XLogP value of 2.2773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 3 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-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The CAS number of 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 1005153-49-0.
What is the molecular formula of 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular formula of 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is C15H17NO3S.
What is the molecular weight of 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular weight of 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 291.09 g/mol.
Where can I buy 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
You can request a quote for 3-[N-(2-thienylmethyl)carbamoyl]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-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[N-(2-thienylmethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.