![N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide structure](/static/products/438/438474-88-5.png)
N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide (CAS 438474-88-5) is a chemical compound with molecular formula C16H12F3NO3 and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
Also Known As: N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide, N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C16H12F3NO3 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 3.3641 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.07693 |
| Heavy Atoms | 23 |
| Complexity | 743.5906 |
Chemical Identifiers
| CAS Number | 438474-88-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide (CAS 438474-88-5), with molecular formula C16H12F3NO3 and molecular weight 323.08 g/mol. IUPAC: N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.3641 indicates that N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide has 1 hydrogen bond donor(s) and 3 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-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide is 438474-88-5.
What is the molecular formula of N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide is C16H12F3NO3.
What is the molecular weight of N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide is 323.08 g/mol.
Where can I buy N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(trifluoromethyl)benzyl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.