ChemDiv1_013583
TL;DR: ChemDiv1_013583 (CAS 422292-17-9) is a chemical compound with molecular formula C29H31N5O3S2 and molecular weight 561.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
Also Known As: ChemDiv1_013583, 4-{[4-oxo-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide, F3407-3939, 4-((4-oxo-2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)quinazolin-3(4H)-yl)methyl)-N-phenethylcyclohexanecarboxamide, 4-[[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
| Molecular Formula | C29H31N5O3S2 |
|---|---|
| Molecular Weight | 561.19 g/mol |
| LogP | 4.7491 |
| Topological Polar Surface Area | 105.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 561.1868 |
| Heavy Atoms | 39 |
| Complexity | 1465.5719 |
Chemical Identifiers
| CAS Number | 422292-17-9 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=CS4)C(=O)NCCC5=CC=CC=C5 |
Product Overview
ChemDiv1_013583 (CAS 422292-17-9), with molecular formula C29H31N5O3S2 and molecular weight 561.19 g/mol. IUPAC: 4-[[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide.
Chemical Property Profile of ChemDiv1_013583
Property Insights of ChemDiv1_013583
The XLogP value of 4.7491 indicates that ChemDiv1_013583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013583. Following Lipinski's Rule of Five, ChemDiv1_013583 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_013583?
The CAS number of ChemDiv1_013583 is 422292-17-9.
What is the molecular formula of ChemDiv1_013583?
The molecular formula of ChemDiv1_013583 is C29H31N5O3S2.
What is the molecular weight of ChemDiv1_013583?
The molecular weight of ChemDiv1_013583 is 561.19 g/mol.
Where can I buy ChemDiv1_013583?
You can request a quote for ChemDiv1_013583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013583?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.