ChemDiv3_012094
TL;DR: ChemDiv3_012094 (CAS 872995-57-8) is a chemical compound with molecular formula C25H26N6O3S and molecular weight 490.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[6-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-methoxybenzamide
Also Known As: ChemDiv3_012094, BRD-K76935450-001-01-4, F2007-0259, N-{2-[6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}-4-methoxybenzamide, N-(2-(6-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methoxybenzamide
| Molecular Formula | C25H26N6O3S |
|---|---|
| Molecular Weight | 490.18 g/mol |
| LogP | 3.45304 |
| Topological Polar Surface Area | 110.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.1787 |
| Heavy Atoms | 35 |
| Complexity | 1353.3335 |
Chemical Identifiers
| CAS Number | 872995-57-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=C(C=C4)OC)C=C2)C |
Product Overview
ChemDiv3_012094 (CAS 872995-57-8), with molecular formula C25H26N6O3S and molecular weight 490.18 g/mol. IUPAC: N-[2-[6-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-methoxybenzamide.
Chemical Property Profile of ChemDiv3_012094
Property Insights of ChemDiv3_012094
The XLogP value of 3.45304 indicates that ChemDiv3_012094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012094. Following Lipinski's Rule of Five, ChemDiv3_012094 has 2 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 ChemDiv3_012094?
The CAS number of ChemDiv3_012094 is 872995-57-8.
What is the molecular formula of ChemDiv3_012094?
The molecular formula of ChemDiv3_012094 is C25H26N6O3S.
What is the molecular weight of ChemDiv3_012094?
The molecular weight of ChemDiv3_012094 is 490.18 g/mol.
Where can I buy ChemDiv3_012094?
You can request a quote for ChemDiv3_012094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012094?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.