![4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide structure](/static/products/900/900019-59-2.png)
4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide
TL;DR: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide (CAS 900019-59-2) is a chemical compound with molecular formula C16H21F3N4O2S and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide
Also Known As: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide, C16H21F3N4O2S
| Molecular Formula | C16H21F3N4O2S |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 3.4102 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.13373 |
| Heavy Atoms | 26 |
| Complexity | 669.3852 |
Chemical Identifiers
| CAS Number | 900019-59-2 |
|---|---|
| SMILES | CCCNC(=S)N1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide (CAS 900019-59-2), with molecular formula C16H21F3N4O2S and molecular weight 390.13 g/mol. IUPAC: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide.
Chemical Property Profile of 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide
Property Insights of 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide
The XLogP value of 3.4102 indicates that 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide. Following Lipinski's Rule of Five, 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide?
The CAS number of 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide is 900019-59-2.
What is the molecular formula of 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide?
The molecular formula of 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide is C16H21F3N4O2S.
What is the molecular weight of 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide?
The molecular weight of 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide is 390.13 g/mol.
Where can I buy 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide?
You can request a quote for 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.