BAS 00537335
TL;DR: BAS 00537335 (CAS 213481-44-8) is a chemical compound with molecular formula C18H10F3N3O2S2 and molecular weight 421.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: BAS 00537335, 2-((4-nitrobenzyl)thio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile, 2-(4-Nitro-benzylsulfanyl)-6-thiophen-2-yl-4-trifluoromethyl-nicotinonitrile, 2-[(4-nitrobenzyl)sulfanyl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-[(4-nitrophenyl)methylthio]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carb onitrile
| Molecular Formula | C18H10F3N3O2S2 |
|---|---|
| Molecular Weight | 421.02 g/mol |
| LogP | 5.90108 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.01666 |
| Heavy Atoms | 28 |
| Complexity | 1043.6732 |
Chemical Identifiers
| CAS Number | 213481-44-8 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 00537335 (CAS 213481-44-8), with molecular formula C18H10F3N3O2S2 and molecular weight 421.02 g/mol. IUPAC: 2-[(4-nitrophenyl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 00537335
Property Insights of BAS 00537335
The XLogP value of 5.90108 indicates that BAS 00537335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00537335. Following Lipinski's Rule of Five, BAS 00537335 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 00537335?
The CAS number of BAS 00537335 is 213481-44-8.
What is the molecular formula of BAS 00537335?
The molecular formula of BAS 00537335 is C18H10F3N3O2S2.
What is the molecular weight of BAS 00537335?
The molecular weight of BAS 00537335 is 421.02 g/mol.
Where can I buy BAS 00537335?
You can request a quote for BAS 00537335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00537335?
Yes, KEHONG BIO provides custom synthesis services for BAS 00537335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.