2-Naphthyl 2-diazo-3,3,3-trifluoropropionate
TL;DR: 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate (CAS 90038-91-8) is a chemical compound with molecular formula C13H7F3N2O2 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-2-yl 2-diazo-3,3,3-trifluoropropanoate
Also Known As: NADIT, 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate, 2-naphthyl2-diazo-3,3,3-trifluoropropionate, (E)-2-diazonio-3,3,3-trifluoro-1-naphthalen-2-yloxyprop-1-en-1-olate, Propanoic acid, 2-diazo-3,3,3-trifluoro-, 2-naphthalenyl-8-14C ester
| Molecular Formula | C13H7F3N2O2 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0492 |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 90038-91-8 |
|---|---|
| SMILES | C1=C[14CH]=C2C=C(C=CC2=C1)OC(=O)C(=[N+]=[N-])C(F)(F)F |
| InChIKey | YDVQCKGDCATORU-DOMIDYPGSA-N |
Product Overview
2-Naphthyl 2-diazo-3,3,3-trifluoropropionate (CAS 90038-91-8), with molecular formula C13H7F3N2O2 and molecular weight 282.05 g/mol. IUPAC: naphthalen-2-yl 2-diazo-3,3,3-trifluoropropanoate.
Chemical Property Profile of 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate
Property Insights of 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate
The XLogP value of 4.3 indicates that 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.3 Ų, 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate has 0 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 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate?
The CAS number of 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate is 90038-91-8.
What is the molecular formula of 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate?
The molecular formula of 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate is C13H7F3N2O2.
What is the molecular weight of 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate?
The molecular weight of 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate is 282.05 g/mol.
Where can I buy 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate?
You can request a quote for 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthyl 2-diazo-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.