N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
TL;DR: N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide (CAS 836666-35-4) is a chemical compound with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide, N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide, N-(2-benzoylbenzofuran-3-yl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide, 5-chloro-2-(methylsulfanyl)-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide
| Molecular Formula | C21H14ClN3O3S |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 5.0814 |
| Topological Polar Surface Area | 85.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.04443 |
| Heavy Atoms | 29 |
| Complexity | 1224.5637 |
Chemical Identifiers
| CAS Number | 836666-35-4 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=CC=C4)Cl |
Product Overview
N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide (CAS 836666-35-4), with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol. IUPAC: N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
Property Insights of N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
The XLogP value of 5.0814 indicates that N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide. Following Lipinski's Rule of Five, N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
The CAS number of N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is 836666-35-4.
What is the molecular formula of N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular formula of N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is C21H14ClN3O3S.
What is the molecular weight of N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular weight of N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is 423.04 g/mol.
Where can I buy N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
You can request a quote for N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-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-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.