AB00672345-01
TL;DR: AB00672345-01 (CAS 307511-48-4) is a chemical compound with molecular formula C15H10N4O2S2 and molecular weight 342.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: AB00672345-01, F0745-0109, 3-{[(2-nitrophenyl)methyl]sulfanyl}-7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene, 3-((2-nitrobenzyl)thio)benzo[4,5]thiazolo[2,3-c][1,2,4]triazole, 1-[(2-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
| Molecular Formula | C15H10N4O2S2 |
|---|---|
| Molecular Weight | 342.02 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.0245 |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 307511-48-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C3N2C4=CC=CC=C4S3)[N+](=O)[O-] |
| InChIKey | SFDYHIHLFXDGFA-UHFFFAOYSA-N |
Product Overview
AB00672345-01 (CAS 307511-48-4), with molecular formula C15H10N4O2S2 and molecular weight 342.02 g/mol. IUPAC: 1-[(2-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of AB00672345-01
Property Insights of AB00672345-01
The XLogP value of 4.9 indicates that AB00672345-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672345-01. Following Lipinski's Rule of Five, AB00672345-01 has 0 hydrogen bond donor(s) and 6 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 AB00672345-01?
The CAS number of AB00672345-01 is 307511-48-4.
What is the molecular formula of AB00672345-01?
The molecular formula of AB00672345-01 is C15H10N4O2S2.
What is the molecular weight of AB00672345-01?
The molecular weight of AB00672345-01 is 342.02 g/mol.
Where can I buy AB00672345-01?
You can request a quote for AB00672345-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672345-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672345-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.