ChemDiv1_013041
TL;DR: ChemDiv1_013041 (CAS 422273-35-6) is a chemical compound with molecular formula C23H23ClN4O4S and molecular weight 486.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate
Also Known As: ChemDiv1_013041, VU0512487-1, F3168-1611, ethyl 4-(3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate, ethyl 4-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate
| Molecular Formula | C23H23ClN4O4S |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | 3.67509 |
| Topological Polar Surface Area | 87.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.11285 |
| Heavy Atoms | 33 |
| Complexity | 1328.0214 |
Chemical Identifiers
| CAS Number | 422273-35-6 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl |
Product Overview
ChemDiv1_013041 (CAS 422273-35-6), with molecular formula C23H23ClN4O4S and molecular weight 486.11 g/mol. IUPAC: ethyl 4-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_013041
Property Insights of ChemDiv1_013041
The XLogP value of 3.67509 indicates that ChemDiv1_013041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013041. Following Lipinski's Rule of Five, ChemDiv1_013041 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 ChemDiv1_013041?
The CAS number of ChemDiv1_013041 is 422273-35-6.
What is the molecular formula of ChemDiv1_013041?
The molecular formula of ChemDiv1_013041 is C23H23ClN4O4S.
What is the molecular weight of ChemDiv1_013041?
The molecular weight of ChemDiv1_013041 is 486.11 g/mol.
Where can I buy ChemDiv1_013041?
You can request a quote for ChemDiv1_013041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013041?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.