N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
TL;DR: N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide (CAS 434292-76-9) is a chemical compound with molecular formula C21H27N3O3 and molecular weight 369.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
Also Known As: N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide, N-2-ADAMANTYL-3-NITRO-4-PYRROLIDIN-1-YLBENZAMIDE, A3644/0154666, 3-nitro-4-(pyrrolidin-1-yl)-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide
| Molecular Formula | C21H27N3O3 |
|---|---|
| Molecular Weight | 369.21 g/mol |
| LogP | 3.7495 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.20523 |
| Heavy Atoms | 27 |
| Complexity | 743.93536 |
Chemical Identifiers
| CAS Number | 434292-76-9 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-] |
Product Overview
N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide (CAS 434292-76-9), with molecular formula C21H27N3O3 and molecular weight 369.21 g/mol. IUPAC: N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide.
Chemical Property Profile of N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
Property Insights of N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
The XLogP value of 3.7495 indicates that N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide. Following Lipinski's Rule of Five, N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide has 1 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)-3-nitro-4-pyrrolidin-1-ylbenzamide?
The CAS number of N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide is 434292-76-9.
What is the molecular formula of N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide?
The molecular formula of N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide is C21H27N3O3.
What is the molecular weight of N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide?
The molecular weight of N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide is 369.21 g/mol.
Where can I buy N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide?
You can request a quote for N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide 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)-3-nitro-4-pyrrolidin-1-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.