ChemDiv1_013274
TL;DR: ChemDiv1_013274 (CAS 422282-34-6) is a chemical compound with molecular formula C28H24ClN5O3S and molecular weight 545.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]butanamide
Also Known As: ChemDiv1_013274, F0916-5065, N-[(3-chlorophenyl)methyl]-4-{4-oxo-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}butanamide, N-(3-chlorobenzyl)-4-(4-oxo-2-(((4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl)thio)quinazolin-3(4H)-yl)butanamide, N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]butanamide
| Molecular Formula | C28H24ClN5O3S |
|---|---|
| Molecular Weight | 545.13 g/mol |
| LogP | 4.4467 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.12885 |
| Heavy Atoms | 38 |
| Complexity | 1750.9121 |
Chemical Identifiers
| CAS Number | 422282-34-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)CCCC(=O)NCC5=CC(=CC=C5)Cl |
Product Overview
ChemDiv1_013274 (CAS 422282-34-6), with molecular formula C28H24ClN5O3S and molecular weight 545.13 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]butanamide.
Chemical Property Profile of ChemDiv1_013274
Property Insights of ChemDiv1_013274
The XLogP value of 4.4467 indicates that ChemDiv1_013274 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013274. Following Lipinski's Rule of Five, ChemDiv1_013274 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_013274?
The CAS number of ChemDiv1_013274 is 422282-34-6.
What is the molecular formula of ChemDiv1_013274?
The molecular formula of ChemDiv1_013274 is C28H24ClN5O3S.
What is the molecular weight of ChemDiv1_013274?
The molecular weight of ChemDiv1_013274 is 545.13 g/mol.
Where can I buy ChemDiv1_013274?
You can request a quote for ChemDiv1_013274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013274?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.