A3196/0135457
TL;DR: A3196/0135457 (CAS 632300-22-2) is a chemical compound with molecular formula C16H10BrN3O4S and molecular weight 418.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-1-(3-nitrophenyl)ethanone
Also Known As: A3196/0135457, 2-[5-(3-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]-1-(3-nitrophenyl)ethanone, 2-[5-(3-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-1-(3-nitrophenyl)ethanone, 2-[5-(3-Bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-1-(3-nitrophenyl)ethan-1-one
| Molecular Formula | C16H10BrN3O4S |
|---|---|
| Molecular Weight | 418.96 g/mol |
| LogP | 4.42619 |
| Topological Polar Surface Area | 91.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.95755 |
| Heavy Atoms | 25 |
| Complexity | 1027.9694 |
Chemical Identifiers
| CAS Number | 632300-22-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NN(C(=S)O2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
A3196/0135457 (CAS 632300-22-2), with molecular formula C16H10BrN3O4S and molecular weight 418.96 g/mol. IUPAC: 2-[5-(3-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of A3196/0135457
Property Insights of A3196/0135457
The XLogP value of 4.42619 indicates that A3196/0135457 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.17 Ų falls within the moderate polarity range, balancing permeability and solubility for A3196/0135457. Following Lipinski's Rule of Five, A3196/0135457 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 A3196/0135457?
The CAS number of A3196/0135457 is 632300-22-2.
What is the molecular formula of A3196/0135457?
The molecular formula of A3196/0135457 is C16H10BrN3O4S.
What is the molecular weight of A3196/0135457?
The molecular weight of A3196/0135457 is 418.96 g/mol.
Where can I buy A3196/0135457?
You can request a quote for A3196/0135457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3196/0135457?
Yes, KEHONG BIO provides custom synthesis services for A3196/0135457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.