ChemDiv3_012627
TL;DR: ChemDiv3_012627 (CAS 1034129-39-9) is a chemical compound with molecular formula C21H23N5O2S and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(cyanomethylsulfanyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylpropanamide
Also Known As: ChemDiv3_012627, 3-{5-[(cyanomethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-cyclohexylpropanamide, 3-[5-(cyanomethylsulfanyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylpropanamide, BRD-A66417887-001-01-0, F0919-6638
| Molecular Formula | C21H23N5O2S |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 3.13098 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.15726 |
| Heavy Atoms | 29 |
| Complexity | 913.89166 |
Chemical Identifiers
| CAS Number | 1034129-39-9 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC#N |
Product Overview
ChemDiv3_012627 (CAS 1034129-39-9), with molecular formula C21H23N5O2S and molecular weight 409.16 g/mol. IUPAC: 3-[5-(cyanomethylsulfanyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylpropanamide.
Chemical Property Profile of ChemDiv3_012627
Property Insights of ChemDiv3_012627
The XLogP value of 3.13098 indicates that ChemDiv3_012627 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012627. Following Lipinski's Rule of Five, ChemDiv3_012627 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_012627?
The CAS number of ChemDiv3_012627 is 1034129-39-9.
What is the molecular formula of ChemDiv3_012627?
The molecular formula of ChemDiv3_012627 is C21H23N5O2S.
What is the molecular weight of ChemDiv3_012627?
The molecular weight of ChemDiv3_012627 is 409.16 g/mol.
Where can I buy ChemDiv3_012627?
You can request a quote for ChemDiv3_012627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012627?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.