SK&F 21000
TL;DR: SK&F 21000 (CAS 6746-91-4) is a chemical compound with molecular formula C17H21Cl2NO2 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)prop-2-enoate;hydrochloride
Also Known As: SKF 21000, SK&F 21000, 3-Tropanyl 2-(p-chlorophenyl)acrylate hydrochloride, SK&F-21000, 3-Tropanyl 4'-chloroatropate hydrochloride
| Molecular Formula | C17H21Cl2NO2 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 3.94 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.09494 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 6746-91-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)Cl.Cl |
| InChIKey | VHWRAEBQWGGCSL-UHFFFAOYSA-N |
Product Overview
SK&F 21000 (CAS 6746-91-4), with molecular formula C17H21Cl2NO2 and molecular weight 341.09 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)prop-2-enoate;hydrochloride.
Chemical Property Profile of SK&F 21000
Property Insights of SK&F 21000
The XLogP value of 3.94 indicates that SK&F 21000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, SK&F 21000 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SK&F 21000 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 SK&F 21000?
The CAS number of SK&F 21000 is 6746-91-4.
What is the molecular formula of SK&F 21000?
The molecular formula of SK&F 21000 is C17H21Cl2NO2.
What is the molecular weight of SK&F 21000?
The molecular weight of SK&F 21000 is 341.09 g/mol.
Where can I buy SK&F 21000?
You can request a quote for SK&F 21000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SK&F 21000?
Yes, KEHONG BIO provides custom synthesis services for SK&F 21000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.