ChemDiv2_005110
TL;DR: ChemDiv2_005110 (CAS 716340-85-1) 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.
2-methyl-6-[[4-(3-methylanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-one
Also Known As: ChemDiv2_005110, IDI1_003825, 2-methyl-6-{[(4Z)-4-[(3-methylphenyl)imino]-6-(propan-2-ylamino)-4,5-dihydro-1,3,5-triazin-2-yl]oxy}pyridazin-3(2H)-one, 2-methyl-6-[[4-(3-methylanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-one, 6-((4-(isopropylamino)-6-(m-tolylamino)-1,3,5-triazin-2-yl)oxy)-2-methylpyridazin-3(2H)-one
| Molecular Formula | C18H21N7O2 |
|---|---|
| Molecular Weight | 367.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.17566 |
| Heavy Atoms | 27 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 716340-85-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC(=NC(=N2)OC3=NN(C(=O)C=C3)C)NC(C)C |
| InChIKey | QWUGEPXYICAZFI-UHFFFAOYSA-N |
Product Overview
ChemDiv2_005110 (CAS 716340-85-1), with molecular formula C18H21N7O2 and molecular weight 367.18 g/mol. IUPAC: 2-methyl-6-[[4-(3-methylanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-one.
Chemical Property Profile of ChemDiv2_005110
Property Insights of ChemDiv2_005110
The XLogP value of 3.2 indicates that ChemDiv2_005110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005110. Following Lipinski's Rule of Five, ChemDiv2_005110 has 2 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_005110?
The CAS number of ChemDiv2_005110 is 716340-85-1.
What is the molecular formula of ChemDiv2_005110?
The molecular formula of ChemDiv2_005110 is C18H21N7O2.
What is the molecular weight of ChemDiv2_005110?
The molecular weight of ChemDiv2_005110 is 367.18 g/mol.
Where can I buy ChemDiv2_005110?
You can request a quote for ChemDiv2_005110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005110?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.