ChemDiv3_012050
TL;DR: ChemDiv3_012050 (CAS 872995-08-9) is a chemical compound with molecular formula C23H28N6O2S and molecular weight 452.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-methylbenzamide
Also Known As: ChemDiv3_012050, BRD-K71663603-001-01-3, F2007-0179, N-[2-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzamide, N-(2-(6-((2-(cyclohexylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methylbenzamide
| Molecular Formula | C23H28N6O2S |
|---|---|
| Molecular Weight | 452.20 g/mol |
| LogP | 2.94622 |
| Topological Polar Surface Area | 101.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.19943 |
| Heavy Atoms | 32 |
| Complexity | 1075.785 |
Chemical Identifiers
| CAS Number | 872995-08-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4CCCCC4 |
Product Overview
ChemDiv3_012050 (CAS 872995-08-9), with molecular formula C23H28N6O2S and molecular weight 452.20 g/mol. IUPAC: N-[2-[6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-methylbenzamide.
Chemical Property Profile of ChemDiv3_012050
Property Insights of ChemDiv3_012050
The XLogP value of 2.94622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012050. The TPSA of 101.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012050. Following Lipinski's Rule of Five, ChemDiv3_012050 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_012050?
The CAS number of ChemDiv3_012050 is 872995-08-9.
What is the molecular formula of ChemDiv3_012050?
The molecular formula of ChemDiv3_012050 is C23H28N6O2S.
What is the molecular weight of ChemDiv3_012050?
The molecular weight of ChemDiv3_012050 is 452.20 g/mol.
Where can I buy ChemDiv3_012050?
You can request a quote for ChemDiv3_012050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012050?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.