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N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide
TL;DR: N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide (CAS 433949-85-0) is a chemical compound with molecular formula C19H22ClF2NO and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide
Also Known As: N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide, AO-080/41039406, 2-chloro-4,5-difluoro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]benzamide
| Molecular Formula | C19H22ClF2NO |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 4.9529 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1358 |
| Heavy Atoms | 24 |
| Complexity | 654.9053 |
Chemical Identifiers
| CAS Number | 433949-85-0 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4Cl)F)F |
Product Overview
N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide (CAS 433949-85-0), with molecular formula C19H22ClF2NO and molecular weight 353.14 g/mol. IUPAC: N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide.
Chemical Property Profile of N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide
Property Insights of N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide
The XLogP value of 4.9529 indicates that N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide has 1 hydrogen bond donor(s) and 1 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-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide?
The CAS number of N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide is 433949-85-0.
What is the molecular formula of N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide?
The molecular formula of N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide is C19H22ClF2NO.
What is the molecular weight of N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide?
The molecular weight of N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide is 353.14 g/mol.
Where can I buy N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide?
You can request a quote for N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1-adamantyl)ethyl]-2-chloro-4,5-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.