ChemDiv3_002551
TL;DR: ChemDiv3_002551 (CAS 381230-20-2) is a chemical compound with molecular formula C21H18Cl2N6O2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
Also Known As: ChemDiv3_002551, BRD-A57209855-001-01-0, N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide, N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide, N-(3,4-dichlorophenyl)-2-((4,7-dimethylquinazolin-2-yl)amino)-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide
| Molecular Formula | C21H18Cl2N6O2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 3.84854 |
| Topological Polar Surface Area | 108.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.08682 |
| Heavy Atoms | 31 |
| Complexity | 1244.0122 |
Chemical Identifiers
| CAS Number | 381230-20-2 |
|---|---|
| SMILES | CC1=CC2=NC(=NC(=C2C=C1)C)NC3=NC(CC(=O)N3)C(=O)NC4=CC(=C(C=C4)Cl)Cl |
Product Overview
ChemDiv3_002551 (CAS 381230-20-2), with molecular formula C21H18Cl2N6O2 and molecular weight 456.09 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
Chemical Property Profile of ChemDiv3_002551
Property Insights of ChemDiv3_002551
The XLogP value of 3.84854 indicates that ChemDiv3_002551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002551. Following Lipinski's Rule of Five, ChemDiv3_002551 has 3 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_002551?
The CAS number of ChemDiv3_002551 is 381230-20-2.
What is the molecular formula of ChemDiv3_002551?
The molecular formula of ChemDiv3_002551 is C21H18Cl2N6O2.
What is the molecular weight of ChemDiv3_002551?
The molecular weight of ChemDiv3_002551 is 456.09 g/mol.
Where can I buy ChemDiv3_002551?
You can request a quote for ChemDiv3_002551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002551?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.