N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide (CAS 349541-93-1) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide, AO-854/42062391, N-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-2-METHYLPENTANAMIDE, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2-methylpentanamide, N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-METHYLPENTANAMIDE
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.4677 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 431.04733 |
Chemical Identifiers
| CAS Number | 349541-93-1 |
|---|---|
| SMILES | CCCC(C)C(=O)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide (CAS 349541-93-1), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide
The XLogP value of 2.4677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide 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)-2-methylpentanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide is 349541-93-1.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide is C14H19NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide is 249.14 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide 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)-2-methylpentanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.