ChemDiv3_012579
TL;DR: ChemDiv3_012579 (CAS 957400-92-9) is a chemical compound with molecular formula C25H25N5O2S and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
Also Known As: ChemDiv3_012579, BRD-A32978643-001-01-7, N,N-diethyl-2-({2-[(1H-indol-3-yl)methyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide, N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide, N,N-diethyl-2-{[2-(1H-indol-3-ylmethyl)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]thio}acetamide
| Molecular Formula | C25H25N5O2S |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 3.9707 |
| Topological Polar Surface Area | 81.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.17288 |
| Heavy Atoms | 33 |
| Complexity | 1290.6991 |
Chemical Identifiers
| CAS Number | 957400-92-9 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CC4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv3_012579 (CAS 957400-92-9), with molecular formula C25H25N5O2S and molecular weight 459.17 g/mol. IUPAC: N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv3_012579
Property Insights of ChemDiv3_012579
The XLogP value of 3.9707 indicates that ChemDiv3_012579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012579. Following Lipinski's Rule of Five, ChemDiv3_012579 has 1 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 ChemDiv3_012579?
The CAS number of ChemDiv3_012579 is 957400-92-9.
What is the molecular formula of ChemDiv3_012579?
The molecular formula of ChemDiv3_012579 is C25H25N5O2S.
What is the molecular weight of ChemDiv3_012579?
The molecular weight of ChemDiv3_012579 is 459.17 g/mol.
Where can I buy ChemDiv3_012579?
You can request a quote for ChemDiv3_012579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012579?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.