N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide
TL;DR: N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide (CAS 227327-87-9) is a chemical compound with molecular formula C18H21ClN2O3 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylmethyl)-2-chloro-5-nitrobenzamide
Also Known As: N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide, N-Adamantan-1-ylmethyl-2-chloro-5-nitro-benzamide, AB01322730-02, N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide #, N-(adamantanylmethyl)(2-chloro-5-nitrophenyl)carboxamide
| Molecular Formula | C18H21ClN2O3 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.12408 |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 227327-87-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl |
| InChIKey | UWUHEGCDMOKCSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide (CAS 227327-87-9), with molecular formula C18H21ClN2O3 and molecular weight 348.12 g/mol. IUPAC: N-(1-adamantylmethyl)-2-chloro-5-nitrobenzamide.
Chemical Property Profile of N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide
Property Insights of N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide
The XLogP value of 4.7 indicates that N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide. Following Lipinski's Rule of Five, N-(1-Adamantylmethyl)-2-chloro-5-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-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide?
The CAS number of N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide is 227327-87-9.
What is the molecular formula of N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide?
The molecular formula of N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide is C18H21ClN2O3.
What is the molecular weight of N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide?
The molecular weight of N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide is 348.12 g/mol.
Where can I buy N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide?
You can request a quote for N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Adamantylmethyl)-2-chloro-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.