AB00672062-01
TL;DR: AB00672062-01 (CAS 852375-94-1) is a chemical compound with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00672062-01, F0676-0569, methyl 5-(((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)methyl)furan-2-carboxylate, methyl 5-({[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 3.77162 |
| Topological Polar Surface Area | 82.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 1101.8058 |
Chemical Identifiers
| CAS Number | 852375-94-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC4=CC=C(O4)C(=O)OC |
Product Overview
AB00672062-01 (CAS 852375-94-1), with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol. IUPAC: methyl 5-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00672062-01
Property Insights of AB00672062-01
The XLogP value of 3.77162 indicates that AB00672062-01 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 AB00672062-01. Following Lipinski's Rule of Five, AB00672062-01 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 AB00672062-01?
The CAS number of AB00672062-01 is 852375-94-1.
What is the molecular formula of AB00672062-01?
The molecular formula of AB00672062-01 is C19H16N4O3S.
What is the molecular weight of AB00672062-01?
The molecular weight of AB00672062-01 is 380.09 g/mol.
Where can I buy AB00672062-01?
You can request a quote for AB00672062-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672062-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672062-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.