AB00615354-02
TL;DR: AB00615354-02 (CAS 852376-80-8) is a chemical compound with molecular formula C19H16N4O4S and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00615354-02, F0676-0688, BRD-K30832044-001-04-5, methyl 5-({[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-(((3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)methyl)furan-2-carboxylate
| Molecular Formula | C19H16N4O4S |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 3.4718 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.08923 |
| Heavy Atoms | 28 |
| Complexity | 1120.6337 |
Chemical Identifiers
| CAS Number | 852376-80-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC4=CC=C(O4)C(=O)OC |
Product Overview
AB00615354-02 (CAS 852376-80-8), with molecular formula C19H16N4O4S and molecular weight 396.09 g/mol. IUPAC: methyl 5-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00615354-02
Property Insights of AB00615354-02
The XLogP value of 3.4718 indicates that AB00615354-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00615354-02. Following Lipinski's Rule of Five, AB00615354-02 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 AB00615354-02?
The CAS number of AB00615354-02 is 852376-80-8.
What is the molecular formula of AB00615354-02?
The molecular formula of AB00615354-02 is C19H16N4O4S.
What is the molecular weight of AB00615354-02?
The molecular weight of AB00615354-02 is 396.09 g/mol.
Where can I buy AB00615354-02?
You can request a quote for AB00615354-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00615354-02?
Yes, KEHONG BIO provides custom synthesis services for AB00615354-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.