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N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide
TL;DR: N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide (CAS 301235-09-6) is a chemical compound with molecular formula C14H9F2N3O5S and molecular weight 369.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide
Also Known As: N-{4-[(difluoromethyl)sulfanyl]phenyl}-3,5-dinitrobenzamide, N-(4-((difluoromethyl)thio)phenyl)-3,5-dinitrobenzamide, N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide, F1575-0022
| Molecular Formula | C14H9F2N3O5S |
|---|---|
| Molecular Weight | 369.02 g/mol |
| LogP | 4.07 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0231 |
| Heavy Atoms | 25 |
| Complexity | 797.467 |
Chemical Identifiers
| CAS Number | 301235-09-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])SC(F)F |
Product Overview
N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide (CAS 301235-09-6), with molecular formula C14H9F2N3O5S and molecular weight 369.02 g/mol. IUPAC: N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide.
Chemical Property Profile of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide
Property Insights of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide
The XLogP value of 4.07 indicates that N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide has 1 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 N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide?
The CAS number of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide is 301235-09-6.
What is the molecular formula of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide?
The molecular formula of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide is C14H9F2N3O5S.
What is the molecular weight of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide?
The molecular weight of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide is 369.02 g/mol.
Where can I buy N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide?
You can request a quote for N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(difluoromethylsulfanyl)phenyl]-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.