![[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate structure](/static/products/851/851911-23-4.png)
[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
TL;DR: [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate (CAS 851911-23-4) is a chemical compound with molecular formula C18H18ClN3O4S and molecular weight 407.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
Also Known As: [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate|[2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate|EN300-26620964
| Molecular Formula | C18H18ClN3O4S |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 2.8157 |
| Topological Polar Surface Area | 111.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.07065 |
| Heavy Atoms | 27 |
| Complexity | 912.00684 |
Chemical Identifiers
| CAS Number | 851911-23-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=C(N=CC=C3)Cl |
Product Overview
[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate (CAS 851911-23-4), with molecular formula C18H18ClN3O4S and molecular weight 407.07 g/mol. IUPAC: [2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
Property Insights of [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
The XLogP value of 2.8157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-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-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-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-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The CAS number of [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is 851911-23-4.
What is the molecular formula of [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The molecular formula of [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is C18H18ClN3O4S.
What is the molecular weight of [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The molecular weight of [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is 407.07 g/mol.
Where can I buy [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
You can request a quote for [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-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-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.