ChemDiv3_012731
TL;DR: ChemDiv3_012731 (CAS 451466-82-3) is a chemical compound with molecular formula C23H26N4O4S and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: ChemDiv3_012731, BRD-K27459857-001-01-4, 1,2,3,4-Tetrahydro-3-[(2-methoxyphenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-4-oxo-2-thioxo-7-quinazolinecarboxamide, 3-(2-methoxybenzyl)-N-(2-morpholin-4-ylethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 1,2,3,4-Tetrahydro-3-((2-methoxyphenyl)methyl)-N-(2-(4-morpholinyl)ethyl)-4-oxo-2-thioxo-7-quinazolinecarboxamide
| Molecular Formula | C23H26N4O4S |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 2.17799 |
| Topological Polar Surface Area | 88.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.16748 |
| Heavy Atoms | 32 |
| Complexity | 1230.6289 |
Chemical Identifiers
| CAS Number | 451466-82-3 |
|---|---|
| SMILES | COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCN4CCOCC4)NC2=S |
Product Overview
ChemDiv3_012731 (CAS 451466-82-3), with molecular formula C23H26N4O4S and molecular weight 454.17 g/mol. IUPAC: 3-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv3_012731
Property Insights of ChemDiv3_012731
The XLogP value of 2.17799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012731. The TPSA of 88.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012731. Following Lipinski's Rule of Five, ChemDiv3_012731 has 2 hydrogen bond donor(s) and 6 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_012731?
The CAS number of ChemDiv3_012731 is 451466-82-3.
What is the molecular formula of ChemDiv3_012731?
The molecular formula of ChemDiv3_012731 is C23H26N4O4S.
What is the molecular weight of ChemDiv3_012731?
The molecular weight of ChemDiv3_012731 is 454.17 g/mol.
Where can I buy ChemDiv3_012731?
You can request a quote for ChemDiv3_012731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012731?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.