ChemDiv1_013985
TL;DR: ChemDiv1_013985 (CAS 450372-01-7) is a chemical compound with molecular formula C28H25ClN4O4S and molecular weight 548.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-[3-[4-(morpholine-4-carbonyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: ChemDiv1_013985, F0913-4134, N-[(2-chlorophenyl)methyl]-2-({3-[4-(morpholine-4-carbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide, N-[(2-chlorophenyl)methyl]-2-[3-[4-(morpholine-4-carbonyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide, N-(2-chlorobenzyl)-2-((3-(4-(morpholine-4-carbonyl)phenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide
| Molecular Formula | C28H25ClN4O4S |
|---|---|
| Molecular Weight | 548.13 g/mol |
| LogP | 3.92 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.1285 |
| Heavy Atoms | 38 |
| Complexity | 1534.4172 |
Chemical Identifiers
| CAS Number | 450372-01-7 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CC=C5Cl |
Product Overview
ChemDiv1_013985 (CAS 450372-01-7), with molecular formula C28H25ClN4O4S and molecular weight 548.13 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[3-[4-(morpholine-4-carbonyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv1_013985
Property Insights of ChemDiv1_013985
The XLogP value of 3.92 indicates that ChemDiv1_013985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013985. Following Lipinski's Rule of Five, ChemDiv1_013985 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013985?
The CAS number of ChemDiv1_013985 is 450372-01-7.
What is the molecular formula of ChemDiv1_013985?
The molecular formula of ChemDiv1_013985 is C28H25ClN4O4S.
What is the molecular weight of ChemDiv1_013985?
The molecular weight of ChemDiv1_013985 is 548.13 g/mol.
Where can I buy ChemDiv1_013985?
You can request a quote for ChemDiv1_013985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013985?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.