BAS 01172413
TL;DR: BAS 01172413 (CAS 332130-05-9) is a chemical compound with molecular formula C15H6Cl2F3N3O3S and molecular weight 434.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole
Also Known As: BAS 01172413, 2-(2,4-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3,4-oxadiazole, 2-(2,4-Dichlorophenyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-oxadiazole, 2-(2,4-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole, 2-(2,4-dichlorophenyl)-5-((2-nitro-4-(trifluoromethyl)phenyl)thio)-1,3,4-oxadiazole
| Molecular Formula | C15H6Cl2F3N3O3S |
|---|---|
| Molecular Weight | 434.95 g/mol |
| LogP | 6.1216 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.9459 |
| Heavy Atoms | 27 |
| Complexity | 1027.0271 |
Chemical Identifiers
| CAS Number | 332130-05-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 01172413 (CAS 332130-05-9), with molecular formula C15H6Cl2F3N3O3S and molecular weight 434.95 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole.
Chemical Property Profile of BAS 01172413
Property Insights of BAS 01172413
The XLogP value of 6.1216 indicates that BAS 01172413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01172413. Following Lipinski's Rule of Five, BAS 01172413 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01172413?
The CAS number of BAS 01172413 is 332130-05-9.
What is the molecular formula of BAS 01172413?
The molecular formula of BAS 01172413 is C15H6Cl2F3N3O3S.
What is the molecular weight of BAS 01172413?
The molecular weight of BAS 01172413 is 434.95 g/mol.
Where can I buy BAS 01172413?
You can request a quote for BAS 01172413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01172413?
Yes, KEHONG BIO provides custom synthesis services for BAS 01172413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.