N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide
TL;DR: N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide (CAS 881441-70-9) is a chemical compound with molecular formula C20H25ClFNO and molecular weight 349.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide
Also Known As: N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide, F3084-0073, N-(3-chloro-4-fluorophenyl)(3,5,8-trimethyladamantanyl)carboxamide, (3r,5r,7r)-N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide
| Molecular Formula | C20H25ClFNO |
|---|---|
| Molecular Weight | 349.16 g/mol |
| LogP | 5.8043 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.16086 |
| Heavy Atoms | 24 |
| Complexity | 676.8002 |
Chemical Identifiers
| CAS Number | 881441-70-9 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC4=CC(=C(C=C4)F)Cl)C)C |
Product Overview
N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide (CAS 881441-70-9), with molecular formula C20H25ClFNO and molecular weight 349.16 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide
Property Insights of N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide
The XLogP value of 5.8043 indicates that N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide 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-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide is 881441-70-9.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide is C20H25ClFNO.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide is 349.16 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-3,5,7-trimethyladamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.