2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one
TL;DR: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one (CAS 35689-00-0) is a chemical compound with molecular formula C13H9F6NO4 and molecular weight 357.04 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-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydro-2H-naphthalen-1-one, 1(2H)-Naphthalenone, 3,4-dihydro-7-nitro-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-, 1(2H)-Naphthalenone,3,4-dihydro-7-nitro-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
| Molecular Formula | C13H9F6NO4 |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.04358 |
| Heavy Atoms | 24 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 35689-00-0 |
|---|---|
| SMILES | C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | XHNOVVDKUYQJSE-UHFFFAOYSA-N |
Product Overview
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one (CAS 35689-00-0), with molecular formula C13H9F6NO4 and molecular weight 357.04 g/mol. IUPAC: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one
Property Insights of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one
The XLogP value of 3.9 indicates that 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one. Following Lipinski's Rule of Five, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one has 1 hydrogen bond donor(s) and 10 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 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one?
The CAS number of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one is 35689-00-0.
What is the molecular formula of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one?
The molecular formula of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one is C13H9F6NO4.
What is the molecular weight of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one?
The molecular weight of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one is 357.04 g/mol.
Where can I buy 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one?
You can request a quote for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-nitro-3,4-dihydronaphthalen-1(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.