N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide
TL;DR: N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide (CAS 591735-80-7) is a chemical compound with molecular formula C24H27N3O3 and molecular weight 405.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide
Also Known As: N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide, 4-(benzylamino)-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide
| Molecular Formula | C24H27N3O3 |
|---|---|
| Molecular Weight | 405.21 g/mol |
| LogP | 4.7614 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.20523 |
| Heavy Atoms | 30 |
| Complexity | 931.42346 |
Chemical Identifiers
| CAS Number | 591735-80-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=C(C=C4)NCC5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide (CAS 591735-80-7), with molecular formula C24H27N3O3 and molecular weight 405.21 g/mol. IUPAC: N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide.
Chemical Property Profile of N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide
Property Insights of N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide
The XLogP value of 4.7614 indicates that N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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-adamantyl)-4-(benzylamino)-3-nitrobenzamide?
The CAS number of N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide is 591735-80-7.
What is the molecular formula of N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide?
The molecular formula of N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide is C24H27N3O3.
What is the molecular weight of N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide?
The molecular weight of N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide is 405.21 g/mol.
Where can I buy N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide?
You can request a quote for N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantyl)-4-(benzylamino)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.