ChemDiv1_013585
TL;DR: ChemDiv1_013585 (CAS 439792-32-2) is a chemical compound with molecular formula C31H38N4O5S and molecular weight 578.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
Also Known As: ChemDiv1_013585, 4-{[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide, F3407-3956, 4-((2-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-((tetrahydrofuran-2-yl)methyl)cyclohexanecarboxamide, 4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
| Molecular Formula | C31H38N4O5S |
|---|---|
| Molecular Weight | 578.26 g/mol |
| LogP | 4.6276 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 578.2563 |
| Heavy Atoms | 41 |
| Complexity | 1395.8788 |
Chemical Identifiers
| CAS Number | 439792-32-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5CCCO5 |
Product Overview
ChemDiv1_013585 (CAS 439792-32-2), with molecular formula C31H38N4O5S and molecular weight 578.26 g/mol. IUPAC: 4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
Chemical Property Profile of ChemDiv1_013585
Property Insights of ChemDiv1_013585
The XLogP value of 4.6276 indicates that ChemDiv1_013585 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013585. Following Lipinski's Rule of Five, ChemDiv1_013585 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013585?
The CAS number of ChemDiv1_013585 is 439792-32-2.
What is the molecular formula of ChemDiv1_013585?
The molecular formula of ChemDiv1_013585 is C31H38N4O5S.
What is the molecular weight of ChemDiv1_013585?
The molecular weight of ChemDiv1_013585 is 578.26 g/mol.
Where can I buy ChemDiv1_013585?
You can request a quote for ChemDiv1_013585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013585?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.