ChemDiv1_026609
TL;DR: ChemDiv1_026609 (CAS 440322-79-2) is a chemical compound with molecular formula C22H15ClN4OS and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide
Also Known As: ChemDiv1_026609, DivK1c_004353, CDS1_003313, F0916-4273, N-[(3-chlorophenyl)methyl]-9-sulfanylidene-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,11(16),12,14-heptaene-5-carboxamide
| Molecular Formula | C22H15ClN4OS |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 5.28169 |
| Topological Polar Surface Area | 62.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.06552 |
| Heavy Atoms | 29 |
| Complexity | 1470.7653 |
Chemical Identifiers
| CAS Number | 440322-79-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=S)NC4=C3C=CC(=C4)C(=O)NCC5=CC(=CC=C5)Cl |
Product Overview
ChemDiv1_026609 (CAS 440322-79-2), with molecular formula C22H15ClN4OS and molecular weight 418.07 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide.
Chemical Property Profile of ChemDiv1_026609
Property Insights of ChemDiv1_026609
The XLogP value of 5.28169 indicates that ChemDiv1_026609 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026609. Following Lipinski's Rule of Five, ChemDiv1_026609 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_026609?
The CAS number of ChemDiv1_026609 is 440322-79-2.
What is the molecular formula of ChemDiv1_026609?
The molecular formula of ChemDiv1_026609 is C22H15ClN4OS.
What is the molecular weight of ChemDiv1_026609?
The molecular weight of ChemDiv1_026609 is 418.07 g/mol.
Where can I buy ChemDiv1_026609?
You can request a quote for ChemDiv1_026609 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026609?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.