N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide (CAS 292867-17-5) is a chemical compound with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
Also Known As: N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide, AN-652/12118505, N-(3-chloro-2-methylphenyl)-2H-1,3-benzodioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolan-5-yl-N-(3-chloro-2-methylphenyl)carboxamide
| Molecular Formula | C15H12ClNO3 |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.05057 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 292867-17-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | YAOLWTZGQQZUNH-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide (CAS 292867-17-5), with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.6 indicates that N-(3-chloro-2-methylphenyl)-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 47.6 Ų, N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide is 292867-17-5.
What is the molecular formula of N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide is C15H12ClNO3.
What is the molecular weight of N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide is 289.05 g/mol.
Where can I buy N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.