ChemDiv3_005661
TL;DR: ChemDiv3_005661 (CAS 364616-49-9) is a chemical compound with molecular formula C21H22ClN5O2S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methylphenyl)sulfonylguanidine
Also Known As: ChemDiv3_005661, IDI1_023571, BRD-K48443880-001-01-4, N-[N-(4-chlorobenzyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-4-methylbenzenesulfonamide, (1Z)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-{[(4-chlorophenyl)methyl]amino}-1 -[(4-methylphenyl)sulfonyl]-1-azaethene
| Molecular Formula | C21H22ClN5O2S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 4.00186 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.1183 |
| Heavy Atoms | 30 |
| Complexity | 1140.7561 |
Chemical Identifiers
| CAS Number | 364616-49-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=C(C=C2)Cl)NC3=NC(=CC(=N3)C)C |
Product Overview
ChemDiv3_005661 (CAS 364616-49-9), with molecular formula C21H22ClN5O2S and molecular weight 443.12 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methylphenyl)sulfonylguanidine.
Chemical Property Profile of ChemDiv3_005661
Property Insights of ChemDiv3_005661
The XLogP value of 4.00186 indicates that ChemDiv3_005661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005661. Following Lipinski's Rule of Five, ChemDiv3_005661 has 2 hydrogen bond donor(s) and 5 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 ChemDiv3_005661?
The CAS number of ChemDiv3_005661 is 364616-49-9.
What is the molecular formula of ChemDiv3_005661?
The molecular formula of ChemDiv3_005661 is C21H22ClN5O2S.
What is the molecular weight of ChemDiv3_005661?
The molecular weight of ChemDiv3_005661 is 443.12 g/mol.
Where can I buy ChemDiv3_005661?
You can request a quote for ChemDiv3_005661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005661?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.