ChemDiv3_012583
TL;DR: ChemDiv3_012583 (CAS 1036734-05-0) is a chemical compound with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-[5-(cyanomethylsulfanyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: ChemDiv3_012583, N-benzyl-3-{5-[(cyanomethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}propanamide, BRD-A32502680-001-01-9, BRD-A32502680-001-02-7, F6548-3668
| Molecular Formula | C22H19N5O2S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 2.99848 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.12595 |
| Heavy Atoms | 30 |
| Complexity | 1074.4355 |
Chemical Identifiers
| CAS Number | 1036734-05-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC#N |
Product Overview
ChemDiv3_012583 (CAS 1036734-05-0), with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol. IUPAC: N-benzyl-3-[5-(cyanomethylsulfanyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide.
Chemical Property Profile of ChemDiv3_012583
Property Insights of ChemDiv3_012583
The XLogP value of 2.99848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012583. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012583. Following Lipinski's Rule of Five, ChemDiv3_012583 has 1 hydrogen bond donor(s) and 6 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_012583?
The CAS number of ChemDiv3_012583 is 1036734-05-0.
What is the molecular formula of ChemDiv3_012583?
The molecular formula of ChemDiv3_012583 is C22H19N5O2S.
What is the molecular weight of ChemDiv3_012583?
The molecular weight of ChemDiv3_012583 is 417.13 g/mol.
Where can I buy ChemDiv3_012583?
You can request a quote for ChemDiv3_012583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012583?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.