ChemDiv3_002764
TL;DR: ChemDiv3_002764 (CAS 406714-01-0) is a chemical compound with molecular formula C21H21N5O and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-6-one
Also Known As: ChemDiv3_002764, BAS 02927240, AJ-292/41040110, 6-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-5,6-dihydropyrimidin-4(3H)-one, BRD-A91099042-001-01-7
| Molecular Formula | C21H21N5O |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 3.58416 |
| Topological Polar Surface Area | 79.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.17462 |
| Heavy Atoms | 27 |
| Complexity | 1059.1051 |
Chemical Identifiers
| CAS Number | 406714-01-0 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(CC(=O)N3)C4=CC=CC=C4)C)C |
Product Overview
ChemDiv3_002764 (CAS 406714-01-0), with molecular formula C21H21N5O and molecular weight 359.17 g/mol. IUPAC: 4-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-6-one.
Chemical Property Profile of ChemDiv3_002764
Property Insights of ChemDiv3_002764
The XLogP value of 3.58416 indicates that ChemDiv3_002764 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002764. Following Lipinski's Rule of Five, ChemDiv3_002764 has 2 hydrogen bond donor(s) and 5 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_002764?
The CAS number of ChemDiv3_002764 is 406714-01-0.
What is the molecular formula of ChemDiv3_002764?
The molecular formula of ChemDiv3_002764 is C21H21N5O.
What is the molecular weight of ChemDiv3_002764?
The molecular weight of ChemDiv3_002764 is 359.17 g/mol.
Where can I buy ChemDiv3_002764?
You can request a quote for ChemDiv3_002764 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002764?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.