ChemDiv3_006995
TL;DR: ChemDiv3_006995 (CAS 669751-79-5) is a chemical compound with molecular formula C23H26ClN7O and molecular weight 451.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine
Also Known As: ChemDiv3_006995, IDI1_024905, BRD-K31713309-001-01-2, 6-chloro-N-{5-[2-(morpholin-4-yl)ethyl]-1,3,5-triazinan-2-ylidene}-4-phenylquinazolin-2-amine, A3589/0152217
| Molecular Formula | C23H26ClN7O |
|---|---|
| Molecular Weight | 451.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.18875 |
| Heavy Atoms | 32 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 669751-79-5 |
|---|---|
| SMILES | C1COCCN1CCN2CNC(=NC2)NC3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5 |
| InChIKey | ASOLKTASORJPFO-UHFFFAOYSA-N |
Product Overview
ChemDiv3_006995 (CAS 669751-79-5), with molecular formula C23H26ClN7O and molecular weight 451.19 g/mol. IUPAC: 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine.
Chemical Property Profile of ChemDiv3_006995
Property Insights of ChemDiv3_006995
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006995. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006995. Following Lipinski's Rule of Five, ChemDiv3_006995 has 2 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_006995?
The CAS number of ChemDiv3_006995 is 669751-79-5.
What is the molecular formula of ChemDiv3_006995?
The molecular formula of ChemDiv3_006995 is C23H26ClN7O.
What is the molecular weight of ChemDiv3_006995?
The molecular weight of ChemDiv3_006995 is 451.19 g/mol.
Where can I buy ChemDiv3_006995?
You can request a quote for ChemDiv3_006995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006995?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.