AB00434682-05
TL;DR: AB00434682-05 (CAS 852375-10-1) is a chemical compound with molecular formula C18H13FN4O3S and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00434682-05, F0676-0450, methyl 5-(((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)methyl)furan-2-carboxylate, methyl 5-({[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C18H13FN4O3S |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 3.6023 |
| Topological Polar Surface Area | 82.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.06924 |
| Heavy Atoms | 27 |
| Complexity | 1124.7078 |
Chemical Identifiers
| CAS Number | 852375-10-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NN3C(=NN=C3C4=CC(=CC=C4)F)C=C2 |
Product Overview
AB00434682-05 (CAS 852375-10-1), with molecular formula C18H13FN4O3S and molecular weight 384.07 g/mol. IUPAC: methyl 5-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00434682-05
Property Insights of AB00434682-05
The XLogP value of 3.6023 indicates that AB00434682-05 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00434682-05. Following Lipinski's Rule of Five, AB00434682-05 has 0 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 AB00434682-05?
The CAS number of AB00434682-05 is 852375-10-1.
What is the molecular formula of AB00434682-05?
The molecular formula of AB00434682-05 is C18H13FN4O3S.
What is the molecular weight of AB00434682-05?
The molecular weight of AB00434682-05 is 384.07 g/mol.
Where can I buy AB00434682-05?
You can request a quote for AB00434682-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00434682-05?
Yes, KEHONG BIO provides custom synthesis services for AB00434682-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.