N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide (CAS 349540-63-2) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide
Also Known As: TimTec1_006511, n-[(1,3-dioxaindan-5-yl)methyl]-3-methylbutanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide, BAS 03034356, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.0776 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 415.12564 |
Chemical Identifiers
| CAS Number | 349540-63-2 |
|---|---|
| SMILES | CC(C)CC(=O)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide (CAS 349540-63-2), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide
The XLogP value of 2.0776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide 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-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide is 349540-63-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide is C13H17NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide is 235.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.