![1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium structure](/static/products/7683/768357-01-3.webp)
1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium
TL;DR: 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium (CAS 768357-01-3) is a chemical compound with molecular formula C15H15N2O3+ and molecular weight 271.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
Also Known As: 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium, N-(1,3-benzodioxol-5-yl)-2-(4-methylpyridin-1-ium-1-yl)acetamide, 1-{2-[(2H-1,3-Benzodioxol-5-yl)amino]-2-oxoethyl}-4-methylpyridin-1-ium
| Molecular Formula | C15H15N2O3+ |
|---|---|
| Molecular Weight | 271.11 g/mol |
| LogP | 1.64992 |
| Topological Polar Surface Area | 51.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.10828 |
| Heavy Atoms | 20 |
| Complexity | 638.06696 |
Chemical Identifiers
| CAS Number | 768357-01-3 |
|---|---|
| SMILES | CC1=CC=[N+](C=C1)CC(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium (CAS 768357-01-3), with molecular formula C15H15N2O3+ and molecular weight 271.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.
Chemical Property Profile of 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium
Property Insights of 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium
The XLogP value of 1.64992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium. With a topological polar surface area (TPSA) of 51.44 Ų, 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium 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 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium?
The CAS number of 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium is 768357-01-3.
What is the molecular formula of 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium?
The molecular formula of 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium is C15H15N2O3+.
What is the molecular weight of 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium?
The molecular weight of 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium is 271.11 g/mol.
Where can I buy 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium?
You can request a quote for 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.