ChemDiv1_026431
TL;DR: ChemDiv1_026431 (CAS 440322-66-7) is a chemical compound with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide
Also Known As: ChemDiv1_026431, DivK1c_004175, CDS1_003135, F0916-4159, N-[2-(3,4-dimethoxyphenyl)ethyl]-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 | C25H22N4O3S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 4.68799 |
| Topological Polar Surface Area | 80.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.14127 |
| Heavy Atoms | 33 |
| Complexity | 1571.3816 |
Chemical Identifiers
| CAS Number | 440322-66-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3)OC |
Product Overview
ChemDiv1_026431 (CAS 440322-66-7), with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide.
Chemical Property Profile of ChemDiv1_026431
Property Insights of ChemDiv1_026431
The XLogP value of 4.68799 indicates that ChemDiv1_026431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026431. Following Lipinski's Rule of Five, ChemDiv1_026431 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 ChemDiv1_026431?
The CAS number of ChemDiv1_026431 is 440322-66-7.
What is the molecular formula of ChemDiv1_026431?
The molecular formula of ChemDiv1_026431 is C25H22N4O3S.
What is the molecular weight of ChemDiv1_026431?
The molecular weight of ChemDiv1_026431 is 458.14 g/mol.
Where can I buy ChemDiv1_026431?
You can request a quote for ChemDiv1_026431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026431?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.