ChemDiv2_004685
TL;DR: ChemDiv2_004685 (CAS 797764-29-5) is a chemical compound with molecular formula C17H17ClN6O2 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
Also Known As: ChemDiv2_004685, BAS 05421814, IDI1_003400, 6-((4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one, 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
| Molecular Formula | C17H17ClN6O2 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.0736 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.11014 |
| Heavy Atoms | 26 |
| Complexity | 968.9774 |
Chemical Identifiers
| CAS Number | 797764-29-5 |
|---|---|
| SMILES | CC(C)(C)NC1=NC(=NC(=N1)Cl)OC2=NN(C(=O)C=C2)C3=CC=CC=C3 |
Product Overview
ChemDiv2_004685 (CAS 797764-29-5), with molecular formula C17H17ClN6O2 and molecular weight 372.11 g/mol. IUPAC: 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one.
Chemical Property Profile of ChemDiv2_004685
Property Insights of ChemDiv2_004685
The XLogP value of 3.0736 indicates that ChemDiv2_004685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004685. Following Lipinski's Rule of Five, ChemDiv2_004685 has 1 hydrogen bond donor(s) and 7 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 ChemDiv2_004685?
The CAS number of ChemDiv2_004685 is 797764-29-5.
What is the molecular formula of ChemDiv2_004685?
The molecular formula of ChemDiv2_004685 is C17H17ClN6O2.
What is the molecular weight of ChemDiv2_004685?
The molecular weight of ChemDiv2_004685 is 372.11 g/mol.
Where can I buy ChemDiv2_004685?
You can request a quote for ChemDiv2_004685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004685?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.