ChemDiv1_026653
TL;DR: ChemDiv1_026653 (CAS 440322-80-5) is a chemical compound with molecular formula C22H21N5O2S and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide
Also Known As: ChemDiv1_026653, DivK1c_004397, CDS1_003357, F0916-4274, N-(3-(2-oxopyrrolidin-1-yl)propyl)-6-thioxo-5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazoline-3-carboxamide
| Molecular Formula | C22H21N5O2S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 3.44059 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.1416 |
| Heavy Atoms | 30 |
| Complexity | 1356.4141 |
Chemical Identifiers
| CAS Number | 440322-80-5 |
|---|---|
| SMILES | C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3 |
Product Overview
ChemDiv1_026653 (CAS 440322-80-5), with molecular formula C22H21N5O2S and molecular weight 419.14 g/mol. IUPAC: N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide.
Chemical Property Profile of ChemDiv1_026653
Property Insights of ChemDiv1_026653
The XLogP value of 3.44059 indicates that ChemDiv1_026653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026653. Following Lipinski's Rule of Five, ChemDiv1_026653 has 2 hydrogen bond donor(s) and 4 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_026653?
The CAS number of ChemDiv1_026653 is 440322-80-5.
What is the molecular formula of ChemDiv1_026653?
The molecular formula of ChemDiv1_026653 is C22H21N5O2S.
What is the molecular weight of ChemDiv1_026653?
The molecular weight of ChemDiv1_026653 is 419.14 g/mol.
Where can I buy ChemDiv1_026653?
You can request a quote for ChemDiv1_026653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026653?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.