N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide
TL;DR: N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide (CAS 300820-68-2) is a chemical compound with molecular formula C14H10FNO3 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide
Also Known As: N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide, N-(2H-1,3-benzodioxol-5-yl)-4-fluorobenzamide, BAS 00568039, F0345-3538, N-(benzo[d][1,3]dioxol-5-yl)-4-fluorobenzamide
| Molecular Formula | C14H10FNO3 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.06448 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 300820-68-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)F |
| InChIKey | CNWJHPRSCMWENK-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide (CAS 300820-68-2), with molecular formula C14H10FNO3 and molecular weight 259.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide
Property Insights of N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide. With a topological polar surface area (TPSA) of 47.6 Ų, N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-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-yl)-4-fluorobenzamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide is 300820-68-2.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide is C14H10FNO3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide is 259.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-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-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.