N-(sec-butyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(sec-butyl)-1,3-benzodioxole-5-carboxamide (CAS 52203-30-2) 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-butan-2-yl-1,3-benzodioxole-5-carboxamide
Also Known As: N-(sec-butyl)-1,3-benzodioxole-5-carboxamide, N-butan-2-yl-1,3-benzodioxole-5-carboxamide, N-(1-methylpropyl)-1,3-benzodioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolen-5-yl-N-(methylpropyl)carboxamide
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.9436 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 403.2504 |
Chemical Identifiers
| CAS Number | 52203-30-2 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=CC2=C(C=C1)OCO2 |
Product Overview
N-(sec-butyl)-1,3-benzodioxole-5-carboxamide (CAS 52203-30-2), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: N-butan-2-yl-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(sec-butyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(sec-butyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 1.9436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(sec-butyl)-1,3-benzodioxole-5-carboxamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(sec-butyl)-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(sec-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-(sec-butyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(sec-butyl)-1,3-benzodioxole-5-carboxamide is 52203-30-2.
What is the molecular formula of N-(sec-butyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(sec-butyl)-1,3-benzodioxole-5-carboxamide is C12H15NO3.
What is the molecular weight of N-(sec-butyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(sec-butyl)-1,3-benzodioxole-5-carboxamide is 221.11 g/mol.
Where can I buy N-(sec-butyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(sec-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-(sec-butyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(sec-butyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.