ChemDiv3_011930
TL;DR: ChemDiv3_011930 (CAS 879936-55-7) is a chemical compound with molecular formula C21H15ClN4O3S and molecular weight 438.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methylsulfanyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide
Also Known As: ChemDiv3_011930, IDI1_029488, 5-chloro-2-(methylsulfanyl)-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide, BRD-K37236175-001-01-9, 5-chloro-2-methylsulfanyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide
| Molecular Formula | C21H15ClN4O3S |
|---|---|
| Molecular Weight | 438.06 g/mol |
| LogP | 5.1027 |
| Topological Polar Surface Area | 97.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.05533 |
| Heavy Atoms | 30 |
| Complexity | 1243.729 |
Chemical Identifiers
| CAS Number | 879936-55-7 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)Cl |
Product Overview
ChemDiv3_011930 (CAS 879936-55-7), with molecular formula C21H15ClN4O3S and molecular weight 438.06 g/mol. IUPAC: 5-chloro-2-methylsulfanyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide.
Chemical Property Profile of ChemDiv3_011930
Property Insights of ChemDiv3_011930
The XLogP value of 5.1027 indicates that ChemDiv3_011930 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011930. Following Lipinski's Rule of Five, ChemDiv3_011930 has 2 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 ChemDiv3_011930?
The CAS number of ChemDiv3_011930 is 879936-55-7.
What is the molecular formula of ChemDiv3_011930?
The molecular formula of ChemDiv3_011930 is C21H15ClN4O3S.
What is the molecular weight of ChemDiv3_011930?
The molecular weight of ChemDiv3_011930 is 438.06 g/mol.
Where can I buy ChemDiv3_011930?
You can request a quote for ChemDiv3_011930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011930?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.