ChemDiv2_007380
TL;DR: ChemDiv2_007380 (CAS 852437-77-5) is a chemical compound with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: ChemDiv2_007380, IDI1_006095, F0676-0901, 2-{[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(2-phenylethyl)acetamide, 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-phenethylacetamide
| Molecular Formula | C23H23N5O3S |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 3.2595 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.15216 |
| Heavy Atoms | 32 |
| Complexity | 1212.9689 |
Chemical Identifiers
| CAS Number | 852437-77-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NCCC4=CC=CC=C4)OC |
Product Overview
ChemDiv2_007380 (CAS 852437-77-5), with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol. IUPAC: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of ChemDiv2_007380
Property Insights of ChemDiv2_007380
The XLogP value of 3.2595 indicates that ChemDiv2_007380 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_007380. Following Lipinski's Rule of Five, ChemDiv2_007380 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_007380?
The CAS number of ChemDiv2_007380 is 852437-77-5.
What is the molecular formula of ChemDiv2_007380?
The molecular formula of ChemDiv2_007380 is C23H23N5O3S.
What is the molecular weight of ChemDiv2_007380?
The molecular weight of ChemDiv2_007380 is 449.15 g/mol.
Where can I buy ChemDiv2_007380?
You can request a quote for ChemDiv2_007380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007380?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.