N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide (CAS 540512-33-2) is a chemical compound with molecular formula C14H8ClF2NO3 and molecular weight 311.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide, AO-080/41004678, A2962/0124747
| Molecular Formula | C14H8ClF2NO3 |
|---|---|
| Molecular Weight | 311.02 g/mol |
| LogP | 3.5992 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.01608 |
| Heavy Atoms | 21 |
| Complexity | 736.39935 |
Chemical Identifiers
| CAS Number | 540512-33-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide (CAS 540512-33-2), with molecular formula C14H8ClF2NO3 and molecular weight 311.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide
The XLogP value of 3.5992 indicates that N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide 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-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide 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-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide is 540512-33-2.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide is C14H8ClF2NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide is 311.02 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide 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)-2-chloro-4,5-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-chloro-4,5-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.