ChemDiv3_012733
TL;DR: ChemDiv3_012733 (CAS 422530-99-2) is a chemical compound with molecular formula C22H22ClN3O5S and molecular weight 475.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-4-oxoquinazoline-7-carboxylate
Also Known As: ChemDiv3_012733, BRD-K85065752-001-01-4, F6548-4338, methyl 2-[({[(2-chlorophenyl)methyl]carbamoyl}methyl)sulfanyl]-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
| Molecular Formula | C22H22ClN3O5S |
|---|---|
| Molecular Weight | 475.10 g/mol |
| LogP | 2.8914 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.09686 |
| Heavy Atoms | 32 |
| Complexity | 1197.8901 |
Chemical Identifiers
| CAS Number | 422530-99-2 |
|---|---|
| SMILES | COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCC3=CC=CC=C3Cl |
Product Overview
ChemDiv3_012733 (CAS 422530-99-2), with molecular formula C22H22ClN3O5S and molecular weight 475.10 g/mol. IUPAC: methyl 2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-4-oxoquinazoline-7-carboxylate.
Chemical Property Profile of ChemDiv3_012733
Property Insights of ChemDiv3_012733
The XLogP value of 2.8914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012733. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012733. Following Lipinski's Rule of Five, ChemDiv3_012733 has 1 hydrogen bond donor(s) and 7 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_012733?
The CAS number of ChemDiv3_012733 is 422530-99-2.
What is the molecular formula of ChemDiv3_012733?
The molecular formula of ChemDiv3_012733 is C22H22ClN3O5S.
What is the molecular weight of ChemDiv3_012733?
The molecular weight of ChemDiv3_012733 is 475.10 g/mol.
Where can I buy ChemDiv3_012733?
You can request a quote for ChemDiv3_012733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012733?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.