N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide (CAS 329929-76-2) is a chemical compound with molecular formula C15H12FNO3 and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide, BAS 03189839, BIM-0008369.P001, N-Benzo[1,3]dioxol-5-ylmethyl-4-fluoro-benzamide, A1776/0075295
| Molecular Formula | C15H12FNO3 |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.0801 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 329929-76-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)F |
| InChIKey | XPCWCCLBXXSZME-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide (CAS 329929-76-2), with molecular formula C15H12FNO3 and molecular weight 273.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide. With a topological polar surface area (TPSA) of 47.6 Ų, N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide has 1 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide is 329929-76-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide is C15H12FNO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide is 273.08 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.