N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide
TL;DR: N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide (CAS 307340-21-2) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide
Also Known As: BAS 00781749, N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide, BIM-0049164.P001, AN-329/12072601, N-(1-allyl-1-methyl-3-butenyl)-2-nitrobenzamide
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 3.2355 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 527.6751 |
Chemical Identifiers
| CAS Number | 307340-21-2 |
|---|---|
| SMILES | CC(CC=C)(CC=C)NC(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide (CAS 307340-21-2), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide.
Chemical Property Profile of N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide
Property Insights of N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide
The XLogP value of 3.2355 indicates that N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide 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-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide?
The CAS number of N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide is 307340-21-2.
What is the molecular formula of N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide?
The molecular formula of N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide is C15H18N2O3.
What is the molecular weight of N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide?
The molecular weight of N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide is 274.13 g/mol.
Where can I buy N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide?
You can request a quote for N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylhepta-1,6-dien-4-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.