N-CHLORO-1-PHENYL-ETHANAMINE
TL;DR: N-CHLORO-1-PHENYL-ETHANAMINE (CAS 35689-01-1) is a chemical compound with molecular formula C13H7F6NO3 and molecular weight 339.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-7-nitro-3,4-dihydronaphthalen-1-one
Also Known As: N-CHLORO-1-PHENYL-ETHANAMINE, 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-7-nitro-3,4-dihydronaphthalen-1(2h)-one, 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-7-nitro-3,4-dihyd, 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-7-nitro-3,4-dihydronaphthalen-1-one, 1(2H)-Naphthalenone, 3,4-dihydro-7-nitro-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
| Molecular Formula | C13H7F6NO3 |
|---|---|
| Molecular Weight | 339.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 339.03302 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 35689-01-1 |
|---|---|
| SMILES | C1CC(=C(C(F)(F)F)C(F)(F)F)C(=O)C2=C1C=CC(=C2)[N+](=O)[O-] |
| InChIKey | SOLXGCAGVGWCAM-UHFFFAOYSA-N |
Product Overview
N-CHLORO-1-PHENYL-ETHANAMINE (CAS 35689-01-1), with molecular formula C13H7F6NO3 and molecular weight 339.03 g/mol. IUPAC: 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-7-nitro-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of N-CHLORO-1-PHENYL-ETHANAMINE
Property Insights of N-CHLORO-1-PHENYL-ETHANAMINE
The XLogP value of 4.3 indicates that N-CHLORO-1-PHENYL-ETHANAMINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-CHLORO-1-PHENYL-ETHANAMINE. Following Lipinski's Rule of Five, N-CHLORO-1-PHENYL-ETHANAMINE has 0 hydrogen bond donor(s) and 9 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-CHLORO-1-PHENYL-ETHANAMINE?
The CAS number of N-CHLORO-1-PHENYL-ETHANAMINE is 35689-01-1.
What is the molecular formula of N-CHLORO-1-PHENYL-ETHANAMINE?
The molecular formula of N-CHLORO-1-PHENYL-ETHANAMINE is C13H7F6NO3.
What is the molecular weight of N-CHLORO-1-PHENYL-ETHANAMINE?
The molecular weight of N-CHLORO-1-PHENYL-ETHANAMINE is 339.03 g/mol.
Where can I buy N-CHLORO-1-PHENYL-ETHANAMINE?
You can request a quote for N-CHLORO-1-PHENYL-ETHANAMINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-CHLORO-1-PHENYL-ETHANAMINE?
Yes, KEHONG BIO provides custom synthesis services for N-CHLORO-1-PHENYL-ETHANAMINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.