AB00431387-04
TL;DR: AB00431387-04 (CAS 868968-05-2) is a chemical compound with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00431387-04, F1835-0212, methyl 5-({[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-(((3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)methyl)furan-2-carboxylate, methyl 5-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C17H13N5O3S |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 2.8582 |
| Topological Polar Surface Area | 95.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.0739 |
| Heavy Atoms | 26 |
| Complexity | 1060.6537 |
Chemical Identifiers
| CAS Number | 868968-05-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NN3C(=NN=C3C4=CC=CC=N4)C=C2 |
Product Overview
AB00431387-04 (CAS 868968-05-2), with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol. IUPAC: methyl 5-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00431387-04
Property Insights of AB00431387-04
The XLogP value of 2.8582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00431387-04. The TPSA of 95.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431387-04. Following Lipinski's Rule of Five, AB00431387-04 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 AB00431387-04?
The CAS number of AB00431387-04 is 868968-05-2.
What is the molecular formula of AB00431387-04?
The molecular formula of AB00431387-04 is C17H13N5O3S.
What is the molecular weight of AB00431387-04?
The molecular weight of AB00431387-04 is 367.07 g/mol.
Where can I buy AB00431387-04?
You can request a quote for AB00431387-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431387-04?
Yes, KEHONG BIO provides custom synthesis services for AB00431387-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.