ChemDiv1_013282
TL;DR: ChemDiv1_013282 (CAS 422283-63-4) is a chemical compound with molecular formula C25H28N4O5S and molecular weight 496.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
Also Known As: ChemDiv1_013282, VU0512555-1, F3168-1768, methyl 3-(4-((3-morpholinopropyl)carbamoyl)benzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate, methyl 3-[(4-{[3-(morpholin-4-yl)propyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
| Molecular Formula | C25H28N4O5S |
|---|---|
| Molecular Weight | 496.18 g/mol |
| LogP | 2.34609 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.17804 |
| Heavy Atoms | 35 |
| Complexity | 1326.422 |
Chemical Identifiers
| CAS Number | 422283-63-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCCN4CCOCC4 |
Product Overview
ChemDiv1_013282 (CAS 422283-63-4), with molecular formula C25H28N4O5S and molecular weight 496.18 g/mol. IUPAC: methyl 3-[[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate.
Chemical Property Profile of ChemDiv1_013282
Property Insights of ChemDiv1_013282
The XLogP value of 2.34609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_013282. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013282. Following Lipinski's Rule of Five, ChemDiv1_013282 has 2 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 ChemDiv1_013282?
The CAS number of ChemDiv1_013282 is 422283-63-4.
What is the molecular formula of ChemDiv1_013282?
The molecular formula of ChemDiv1_013282 is C25H28N4O5S.
What is the molecular weight of ChemDiv1_013282?
The molecular weight of ChemDiv1_013282 is 496.18 g/mol.
Where can I buy ChemDiv1_013282?
You can request a quote for ChemDiv1_013282 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013282?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013282 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.