![2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline structure](/static/products/3296/329699-36-7.webp)
2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
TL;DR: 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline (CAS 329699-36-7) is a chemical compound with molecular formula C14H10F2N2O4 and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
Also Known As: 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline, AA-768/31452046, N-(2,4-difluorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine, 2,4-difluoro-N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]aniline
| Molecular Formula | C14H10F2N2O4 |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.06085 |
| Heavy Atoms | 22 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 329699-36-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CNC3=C(C=C(C=C3)F)F)[N+](=O)[O-] |
| InChIKey | GXBDQQXDRYXCMP-UHFFFAOYSA-N |
Product Overview
2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline (CAS 329699-36-7), with molecular formula C14H10F2N2O4 and molecular weight 308.06 g/mol. IUPAC: 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline.
Chemical Property Profile of 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
Property Insights of 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
The XLogP value of 3.2 indicates that 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline. Following Lipinski's Rule of Five, 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline has 1 hydrogen bond donor(s) and 7 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 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
The CAS number of 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline is 329699-36-7.
What is the molecular formula of 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
The molecular formula of 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline is C14H10F2N2O4.
What is the molecular weight of 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
The molecular weight of 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline is 308.06 g/mol.
Where can I buy 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
You can request a quote for 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.