对氟曲吡那敏
TL;DR: 对氟曲吡那敏 (CAS 396-59-8) is a chemical compound with molecular formula C16H20FN3 and molecular weight 273.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对氟曲吡那敏
N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Also Known As: p-Fluorotripelennamine, 2-[N- -N- amino]pyridine, Pyridine, 2-((p-fluorobenzyl)(2-(dimethylamino)ethyl)amino)-, 2-((p-Fluorobenzyl)(2-(dimethylamino)ethyl)amino)pyridine, 4-22-00-03928 (Beilstein Handbook Reference)
| Molecular Formula | C16H20FN3 |
|---|---|
| Molecular Weight | 273.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 19.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.16412 |
| Heavy Atoms | 20 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 396-59-8 |
|---|---|
| SMILES | CN(C)CCN(CC1=CC=C(C=C1)F)C2=CC=CC=N2 |
| InChIKey | VKMKSMCOLOJDJQ-UHFFFAOYSA-N |
Product Overview
对氟曲吡那敏 (CAS 396-59-8), with molecular formula C16H20FN3 and molecular weight 273.16 g/mol. IUPAC: N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
Chemical Property Profile of 对氟曲吡那敏
Property Insights of 对氟曲吡那敏
The XLogP value of 3.4 indicates that 对氟曲吡那敏 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.4 Ų, 对氟曲吡那敏 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对氟曲吡那敏 has 0 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 对氟曲吡那敏?
The CAS number of 对氟曲吡那敏 is 396-59-8.
What is the molecular formula of 对氟曲吡那敏?
The molecular formula of 对氟曲吡那敏 is C16H20FN3.
What is the molecular weight of 对氟曲吡那敏?
The molecular weight of 对氟曲吡那敏 is 273.16 g/mol.
Where can I buy 对氟曲吡那敏?
You can request a quote for 对氟曲吡那敏 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氟曲吡那敏?
Yes, KEHONG BIO provides custom synthesis services for 对氟曲吡那敏 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.