AB00414302-05
TL;DR: AB00414302-05 (CAS 852438-06-3) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]pentane-2,4-dione
Also Known As: AB00414302-05, F0676-0950, 3-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)pentane-2,4-dione, 3-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]pentane-2,4-dione, 3-{[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}pentane-2,4-dione
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 2.4472 |
| Topological Polar Surface Area | 95.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 1003.7643 |
Chemical Identifiers
| CAS Number | 852438-06-3 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=NN2C(=NN=C2C3=CC(=C(C=C3)OC)OC)C=C1 |
Product Overview
AB00414302-05 (CAS 852438-06-3), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: 3-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]pentane-2,4-dione.
Chemical Property Profile of AB00414302-05
Property Insights of AB00414302-05
The XLogP value of 2.4472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00414302-05. The TPSA of 95.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00414302-05. Following Lipinski's Rule of Five, AB00414302-05 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 AB00414302-05?
The CAS number of AB00414302-05 is 852438-06-3.
What is the molecular formula of AB00414302-05?
The molecular formula of AB00414302-05 is C18H18N4O4S.
What is the molecular weight of AB00414302-05?
The molecular weight of AB00414302-05 is 386.10 g/mol.
Where can I buy AB00414302-05?
You can request a quote for AB00414302-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00414302-05?
Yes, KEHONG BIO provides custom synthesis services for AB00414302-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.