![2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide structure](/static/products/7090/709005-31-2.webp)
2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide
TL;DR: 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide (CAS 709005-31-2) is a chemical compound with molecular formula C21H28ClN3O3 and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide
Also Known As: 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide, N-{3-[(2-chloro-4-nitrophenyl)amino]propyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
| Molecular Formula | C21H28ClN3O3 |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 4.7729 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.18192 |
| Heavy Atoms | 28 |
| Complexity | 731.9785 |
Chemical Identifiers
| CAS Number | 709005-31-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CC(=O)NCCCNC4=C(C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide (CAS 709005-31-2), with molecular formula C21H28ClN3O3 and molecular weight 405.18 g/mol. IUPAC: 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide.
Chemical Property Profile of 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide
Property Insights of 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide
The XLogP value of 4.7729 indicates that 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide 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 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide. Following Lipinski's Rule of Five, 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide 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 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide?
The CAS number of 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide is 709005-31-2.
What is the molecular formula of 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide?
The molecular formula of 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide is C21H28ClN3O3.
What is the molecular weight of 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide?
The molecular weight of 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide is 405.18 g/mol.
Where can I buy 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide?
You can request a quote for 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.