![n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide structure](/static/products/2028/20286-86-6.webp)
n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide
TL;DR: n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide (CAS 20286-86-6) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide
Also Known As: n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide, N-[2-(4-Methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-2H-1,3-benzodioxole-5-carboximidic acid
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1165 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 20286-86-6 |
|---|---|
| SMILES | COC1=CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3 |
| InChIKey | OGQHHJJGIIMWJH-UHFFFAOYSA-N |
Product Overview
n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide (CAS 20286-86-6), with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol. IUPAC: N-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide
Property Insights of n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide has 1 hydrogen bond donor(s) and 6 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-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide?
The CAS number of n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide is 20286-86-6.
What is the molecular formula of n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide?
The molecular formula of n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide is C17H18N2O6.
What is the molecular weight of n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide?
The molecular weight of n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide is 346.12 g/mol.
Where can I buy n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide?
You can request a quote for n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-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-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for n-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.