N-butyl-1,3-benzodioxole-5-carboxamide
TL;DR: N-butyl-1,3-benzodioxole-5-carboxamide (CAS 99499-07-7) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-1,3-benzodioxole-5-carboxamide
Also Known As: N-Butylpiperonylamide, N-butyl-1,3-benzodioxole-5-carboxamide, 1,3-Benzodioxole-5-carboxamide, N-butyl-, J1.905.120J, N-BUTYL-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.9452 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 389.8503 |
Chemical Identifiers
| CAS Number | 99499-07-7 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC2=C(C=C1)OCO2 |
Product Overview
N-butyl-1,3-benzodioxole-5-carboxamide (CAS 99499-07-7), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: N-butyl-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-butyl-1,3-benzodioxole-5-carboxamide
Property Insights of N-butyl-1,3-benzodioxole-5-carboxamide
The XLogP value of 1.9452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-1,3-benzodioxole-5-carboxamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-butyl-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-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-butyl-1,3-benzodioxole-5-carboxamide?
The CAS number of N-butyl-1,3-benzodioxole-5-carboxamide is 99499-07-7.
What is the molecular formula of N-butyl-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-butyl-1,3-benzodioxole-5-carboxamide is C12H15NO3.
What is the molecular weight of N-butyl-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-butyl-1,3-benzodioxole-5-carboxamide is 221.11 g/mol.
Where can I buy N-butyl-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-butyl-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-butyl-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.