ChemDiv1_026651
TL;DR: ChemDiv1_026651 (CAS 440322-71-4) is a chemical compound with molecular formula C23H18N4OS and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenylethyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide
Also Known As: ChemDiv1_026651, DivK1c_004395, CDS1_003355, F0916-4163, N-(2-phenylethyl)-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 | C23H18N4OS |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 4.67079 |
| Topological Polar Surface Area | 62.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.12012 |
| Heavy Atoms | 29 |
| Complexity | 1419.3615 |
Chemical Identifiers
| CAS Number | 440322-71-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3 |
Product Overview
ChemDiv1_026651 (CAS 440322-71-4), with molecular formula C23H18N4OS and molecular weight 398.12 g/mol. IUPAC: N-(2-phenylethyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide.
Chemical Property Profile of ChemDiv1_026651
Property Insights of ChemDiv1_026651
The XLogP value of 4.67079 indicates that ChemDiv1_026651 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_026651. Following Lipinski's Rule of Five, ChemDiv1_026651 has 2 hydrogen bond donor(s) and 3 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 ChemDiv1_026651?
The CAS number of ChemDiv1_026651 is 440322-71-4.
What is the molecular formula of ChemDiv1_026651?
The molecular formula of ChemDiv1_026651 is C23H18N4OS.
What is the molecular weight of ChemDiv1_026651?
The molecular weight of ChemDiv1_026651 is 398.12 g/mol.
Where can I buy ChemDiv1_026651?
You can request a quote for ChemDiv1_026651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026651?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.