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N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide
TL;DR: N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide (CAS 71458-52-1) is a chemical compound with molecular formula C19H25FN2O and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide
Also Known As: N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide, N-[2-[(4-FLUOROPHENYL)AMINO]ETHYL]ADAMANTANE-1-CARBOXAMIDE, N-[2-(4-Fluoroanilino)ethyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C19H25FN2O |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.1951 |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 71458-52-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCCNC4=CC=C(C=C4)F |
| InChIKey | KXINDUXQGRRFAG-UHFFFAOYSA-N |
Product Overview
N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide (CAS 71458-52-1), with molecular formula C19H25FN2O and molecular weight 316.20 g/mol. IUPAC: N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide.
Chemical Property Profile of N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide
Property Insights of N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide
The XLogP value of 3.9 indicates that N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide has 2 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-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide?
The CAS number of N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide is 71458-52-1.
What is the molecular formula of N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide?
The molecular formula of N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide is C19H25FN2O.
What is the molecular weight of N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide?
The molecular weight of N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide is 316.20 g/mol.
Where can I buy N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide?
You can request a quote for N-[2-(4-fluoroanilino)ethyl]adamantane-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-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-fluoroanilino)ethyl]adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.