N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
TL;DR: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide (CAS 836661-89-3) is a chemical compound with molecular formula C15H15ClN4O2S2 and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
| Molecular Formula | C15H15ClN4O2S2 |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 3.1434 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.0325 |
| Heavy Atoms | 24 |
| Complexity | 822.04565 |
Chemical Identifiers
| CAS Number | 836661-89-3 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl |
Product Overview
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide (CAS 836661-89-3), with molecular formula C15H15ClN4O2S2 and molecular weight 382.03 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Property Insights of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
The XLogP value of 3.1434 indicates that N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide. Following Lipinski's Rule of Five, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide 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 N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide?
The CAS number of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide is 836661-89-3.
What is the molecular formula of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide?
The molecular formula of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide is C15H15ClN4O2S2.
What is the molecular weight of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide?
The molecular weight of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide is 382.03 g/mol.
Where can I buy N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide?
You can request a quote for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.