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N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide (CAS 774589-51-4) 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-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
Also Known As: N-(3-chlorobenzyl)-1,3-benzodioxole-5-carboxamide, N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide, N-[(3-CHLOROPHENYL)METHYL]-2H-13-BENZODIOXOLE-5-CARBOXAMIDE, 2H-benzo[3,4-d]1,3-dioxolan-5-yl-N-[(3-chlorophenyl)methyl]carboxamide
| Molecular Formula | C15H12ClNO3 |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 2.9987 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.05057 |
| Heavy Atoms | 20 |
| Complexity | 657.31696 |
Chemical Identifiers
| CAS Number | 774589-51-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl |
Product Overview
N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide (CAS 774589-51-4), with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.9987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-chlorophenyl)methyl]-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-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide is 774589-51-4.
What is the molecular formula of N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide is C15H12ClNO3.
What is the molecular weight of N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide is 289.05 g/mol.
Where can I buy N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[(3-chlorophenyl)methyl]-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-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.