AB00672112-01
TL;DR: AB00672112-01 (CAS 852437-26-4) is a chemical compound with molecular formula C19H21N5O4S and molecular weight 415.13 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]-1-morpholin-4-ylethanone
Also Known As: AB00672112-01, F0676-0840, 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-morpholinoethanone, 2-{[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one, 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-morpholin-4-ylethanone
| Molecular Formula | C19H21N5O4S |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 1.7594 |
| Topological Polar Surface Area | 91.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.13144 |
| Heavy Atoms | 29 |
| Complexity | 1019.0022 |
Chemical Identifiers
| CAS Number | 852437-26-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCOCC4)OC |
Product Overview
AB00672112-01 (CAS 852437-26-4), with molecular formula C19H21N5O4S and molecular weight 415.13 g/mol. IUPAC: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of AB00672112-01
Property Insights of AB00672112-01
The XLogP value of 1.7594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672112-01. The TPSA of 91.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672112-01. Following Lipinski's Rule of Five, AB00672112-01 has 0 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 AB00672112-01?
The CAS number of AB00672112-01 is 852437-26-4.
What is the molecular formula of AB00672112-01?
The molecular formula of AB00672112-01 is C19H21N5O4S.
What is the molecular weight of AB00672112-01?
The molecular weight of AB00672112-01 is 415.13 g/mol.
Where can I buy AB00672112-01?
You can request a quote for AB00672112-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672112-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672112-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.