SDCCGSBI-0658512.P001
TL;DR: SDCCGSBI-0658512.P001 (CAS 825606-72-2) is a chemical compound with molecular formula C18H12N4O4S and molecular weight 380.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: SDCCGSBI-0658512.P001, 6-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43263896, 6-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2H-1,3-BENZODIOXOL-5-YL)-3-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE
| Molecular Formula | C18H12N4O4S |
|---|---|
| Molecular Weight | 380.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.05792 |
| Heavy Atoms | 27 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 825606-72-2 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)C5=CC6=C(C=C5)OCO6 |
| InChIKey | XTHFPGUHKBEENX-UHFFFAOYSA-N |
Product Overview
SDCCGSBI-0658512.P001 (CAS 825606-72-2), with molecular formula C18H12N4O4S and molecular weight 380.06 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of SDCCGSBI-0658512.P001
Property Insights of SDCCGSBI-0658512.P001
The XLogP value of 3.0 indicates that SDCCGSBI-0658512.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SDCCGSBI-0658512.P001. Following Lipinski's Rule of Five, SDCCGSBI-0658512.P001 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 SDCCGSBI-0658512.P001?
The CAS number of SDCCGSBI-0658512.P001 is 825606-72-2.
What is the molecular formula of SDCCGSBI-0658512.P001?
The molecular formula of SDCCGSBI-0658512.P001 is C18H12N4O4S.
What is the molecular weight of SDCCGSBI-0658512.P001?
The molecular weight of SDCCGSBI-0658512.P001 is 380.06 g/mol.
Where can I buy SDCCGSBI-0658512.P001?
You can request a quote for SDCCGSBI-0658512.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SDCCGSBI-0658512.P001?
Yes, KEHONG BIO provides custom synthesis services for SDCCGSBI-0658512.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.