![({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate structure](/static/products/802/802943-16-4.png)
({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate
TL;DR: ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate (CAS 802943-16-4) is a chemical compound with molecular formula C16H14ClN3O4S and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
Also Known As: ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate, [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
| Molecular Formula | C16H14ClN3O4S |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 2.1796 |
| Topological Polar Surface Area | 111.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.03937 |
| Heavy Atoms | 25 |
| Complexity | 865.0599 |
Chemical Identifiers
| CAS Number | 802943-16-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=C(N=CC=C3)Cl |
Product Overview
({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate (CAS 802943-16-4), with molecular formula C16H14ClN3O4S and molecular weight 379.04 g/mol. IUPAC: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate
Property Insights of ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate
The XLogP value of 2.1796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate. The TPSA of 111.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 6 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-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate?
The CAS number of ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate is 802943-16-4.
What is the molecular formula of ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate?
The molecular formula of ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate is C16H14ClN3O4S.
What is the molecular weight of ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate?
The molecular weight of ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate is 379.04 g/mol.
Where can I buy ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate?
You can request a quote for ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.