ChemDiv1_013411
TL;DR: ChemDiv1_013411 (CAS 439792-41-3) is a chemical compound with molecular formula C29H33ClN4O4S and molecular weight 568.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
Also Known As: ChemDiv1_013411, 4-{[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide, F3407-3960, 4-((2-((2-((2-chlorophenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-((tetrahydrofuran-2-yl)methyl)cyclohexanecarboxamide, 4-[[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
| Molecular Formula | C29H33ClN4O4S |
|---|---|
| Molecular Weight | 568.19 g/mol |
| LogP | 4.8823 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 568.1911 |
| Heavy Atoms | 39 |
| Complexity | 1383.2053 |
Chemical Identifiers
| CAS Number | 439792-41-3 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=CC=C5Cl |
Product Overview
ChemDiv1_013411 (CAS 439792-41-3), with molecular formula C29H33ClN4O4S and molecular weight 568.19 g/mol. IUPAC: 4-[[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
Chemical Property Profile of ChemDiv1_013411
Property Insights of ChemDiv1_013411
The XLogP value of 4.8823 indicates that ChemDiv1_013411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013411. Following Lipinski's Rule of Five, ChemDiv1_013411 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013411?
The CAS number of ChemDiv1_013411 is 439792-41-3.
What is the molecular formula of ChemDiv1_013411?
The molecular formula of ChemDiv1_013411 is C29H33ClN4O4S.
What is the molecular weight of ChemDiv1_013411?
The molecular weight of ChemDiv1_013411 is 568.19 g/mol.
Where can I buy ChemDiv1_013411?
You can request a quote for ChemDiv1_013411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013411?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.