ChemDiv1_013142
TL;DR: ChemDiv1_013142 (CAS 422282-26-6) is a chemical compound with molecular formula C28H23Cl2N5O3S and molecular weight 579.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[(3-chlorophenyl)methyl]butanamide
Also Known As: ChemDiv1_013142, 4-{2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N-[(3-chlorophenyl)methyl]butanamide, F0916-5046, 4-(2-(((7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-(3-chlorobenzyl)butanamide, 4-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[(3-chlorophenyl)methyl]butanamide
| Molecular Formula | C28H23Cl2N5O3S |
|---|---|
| Molecular Weight | 579.09 g/mol |
| LogP | 5.1001 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 579.08984 |
| Heavy Atoms | 39 |
| Complexity | 1804.6901 |
Chemical Identifiers
| CAS Number | 422282-26-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=O)N4C=C(C=CC4=N3)Cl)CCCC(=O)NCC5=CC(=CC=C5)Cl |
Product Overview
ChemDiv1_013142 (CAS 422282-26-6), with molecular formula C28H23Cl2N5O3S and molecular weight 579.09 g/mol. IUPAC: 4-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[(3-chlorophenyl)methyl]butanamide.
Chemical Property Profile of ChemDiv1_013142
Property Insights of ChemDiv1_013142
The XLogP value of 5.1001 indicates that ChemDiv1_013142 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_013142. Following Lipinski's Rule of Five, ChemDiv1_013142 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_013142?
The CAS number of ChemDiv1_013142 is 422282-26-6.
What is the molecular formula of ChemDiv1_013142?
The molecular formula of ChemDiv1_013142 is C28H23Cl2N5O3S.
What is the molecular weight of ChemDiv1_013142?
The molecular weight of ChemDiv1_013142 is 579.09 g/mol.
Where can I buy ChemDiv1_013142?
You can request a quote for ChemDiv1_013142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013142?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.