ChemDiv2_004778
TL;DR: ChemDiv2_004778 (CAS 573705-94-9) is a chemical compound with molecular formula C18H21N7O2 and molecular weight 367.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
Also Known As: ChemDiv2_004778, IDI1_003493, 6-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one, 6-(4-Dimethylamino-6-isopropylamino-[1,3,5]triazin-2-yloxy)-2-phenyl-2H-pyridazin-3-one, 6-((4-(dimethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one
| Molecular Formula | C18H21N7O2 |
|---|---|
| Molecular Weight | 367.18 g/mol |
| LogP | 2.0961 |
| Topological Polar Surface Area | 98.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.17566 |
| Heavy Atoms | 27 |
| Complexity | 970.9442 |
Chemical Identifiers
| CAS Number | 573705-94-9 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)OC2=NN(C(=O)C=C2)C3=CC=CC=C3)N(C)C |
Product Overview
ChemDiv2_004778 (CAS 573705-94-9), with molecular formula C18H21N7O2 and molecular weight 367.18 g/mol. IUPAC: 6-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one.
Chemical Property Profile of ChemDiv2_004778
Property Insights of ChemDiv2_004778
The XLogP value of 2.0961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004778. The TPSA of 98.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004778. Following Lipinski's Rule of Five, ChemDiv2_004778 has 1 hydrogen bond donor(s) and 8 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_004778?
The CAS number of ChemDiv2_004778 is 573705-94-9.
What is the molecular formula of ChemDiv2_004778?
The molecular formula of ChemDiv2_004778 is C18H21N7O2.
What is the molecular weight of ChemDiv2_004778?
The molecular weight of ChemDiv2_004778 is 367.18 g/mol.
Where can I buy ChemDiv2_004778?
You can request a quote for ChemDiv2_004778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004778?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.