ChemDiv3_010894
TL;DR: ChemDiv3_010894 (CAS 852437-03-7) is a chemical compound with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: ChemDiv3_010894, IDI1_028452, methyl 5-(((3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)methyl)furan-2-carboxylate, methyl 5-({[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C20H18N4O4S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 3.8619 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.1049 |
| Heavy Atoms | 29 |
| Complexity | 1137.0623 |
Chemical Identifiers
| CAS Number | 852437-03-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC4=CC=C(O4)C(=O)OC |
Product Overview
ChemDiv3_010894 (CAS 852437-03-7), with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol. IUPAC: methyl 5-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of ChemDiv3_010894
Property Insights of ChemDiv3_010894
The XLogP value of 3.8619 indicates that ChemDiv3_010894 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 ChemDiv3_010894. Following Lipinski's Rule of Five, ChemDiv3_010894 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 ChemDiv3_010894?
The CAS number of ChemDiv3_010894 is 852437-03-7.
What is the molecular formula of ChemDiv3_010894?
The molecular formula of ChemDiv3_010894 is C20H18N4O4S.
What is the molecular weight of ChemDiv3_010894?
The molecular weight of ChemDiv3_010894 is 410.10 g/mol.
Where can I buy ChemDiv3_010894?
You can request a quote for ChemDiv3_010894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010894?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.