N-benzyl-1,3-benzodioxole-5-carboxamide
TL;DR: N-benzyl-1,3-benzodioxole-5-carboxamide (CAS 349113-92-4) is a chemical compound with molecular formula C15H13NO3 and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1,3-benzodioxole-5-carboxamide
Also Known As: N-benzyl-1,3-benzodioxole-5-carboxamide, 4-Oxo-hepta-2,5-diendisaeure, N-benzylbenzo[d][1,3]dioxole-5-carboxamide, F3230-0172, J2.894.359H
| Molecular Formula | C15H13NO3 |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 2.3453 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.08954 |
| Heavy Atoms | 19 |
| Complexity | 595.5946 |
Chemical Identifiers
| CAS Number | 349113-92-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC=CC=C3 |
Product Overview
N-benzyl-1,3-benzodioxole-5-carboxamide (CAS 349113-92-4), with molecular formula C15H13NO3 and molecular weight 255.09 g/mol. IUPAC: N-benzyl-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-benzyl-1,3-benzodioxole-5-carboxamide
Property Insights of N-benzyl-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.3453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-1,3-benzodioxole-5-carboxamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-benzyl-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-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-benzyl-1,3-benzodioxole-5-carboxamide?
The CAS number of N-benzyl-1,3-benzodioxole-5-carboxamide is 349113-92-4.
What is the molecular formula of N-benzyl-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-benzyl-1,3-benzodioxole-5-carboxamide is C15H13NO3.
What is the molecular weight of N-benzyl-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-benzyl-1,3-benzodioxole-5-carboxamide is 255.09 g/mol.
Where can I buy N-benzyl-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-benzyl-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-benzyl-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.