BAS 12975002
TL;DR: BAS 12975002 (CAS 878429-33-5) is a chemical compound with molecular formula C16H9ClN4O2S and molecular weight 356.01 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-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975002, 6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43301192, A4046/0172546
| Molecular Formula | C16H9ClN4O2S |
|---|---|
| Molecular Weight | 356.01 g/mol |
| LogP | 3.9019 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.0135 |
| Heavy Atoms | 24 |
| Complexity | 1057.8229 |
Chemical Identifiers
| CAS Number | 878429-33-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN4C(=NN=C4S3)C5=CC=C(C=C5)Cl |
Product Overview
BAS 12975002 (CAS 878429-33-5), with molecular formula C16H9ClN4O2S and molecular weight 356.01 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12975002
Property Insights of BAS 12975002
The XLogP value of 3.9019 indicates that BAS 12975002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12975002. Following Lipinski's Rule of Five, BAS 12975002 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 BAS 12975002?
The CAS number of BAS 12975002 is 878429-33-5.
What is the molecular formula of BAS 12975002?
The molecular formula of BAS 12975002 is C16H9ClN4O2S.
What is the molecular weight of BAS 12975002?
The molecular weight of BAS 12975002 is 356.01 g/mol.
Where can I buy BAS 12975002?
You can request a quote for BAS 12975002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975002?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.