![[(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate structure](/static/products/121/1211672-49-9.png)
[(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
TL;DR: [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (CAS 1211672-49-9) is a chemical compound with molecular formula C16H17ClN2O4S and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
Also Known As: [(1-cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate|EN300-26687757
| Molecular Formula | C16H17ClN2O4S |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 2.86018 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.05975 |
| Heavy Atoms | 24 |
| Complexity | 673.8624 |
Chemical Identifiers
| CAS Number | 1211672-49-9 |
|---|---|
| SMILES | C1CCC(C1)(C#N)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl |
Product Overview
[(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (CAS 1211672-49-9), with molecular formula C16H17ClN2O4S and molecular weight 368.06 g/mol. IUPAC: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate.
Chemical Property Profile of [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
Property Insights of [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
The XLogP value of 2.86018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate. Following Lipinski's Rule of Five, [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate has 1 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 [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The CAS number of [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is 1211672-49-9.
What is the molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is C16H17ClN2O4S.
What is the molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is 368.06 g/mol.
Where can I buy [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
You can request a quote for [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.