SKF-89976A
TL;DR: SKF-89976A (CAS 85375-85-5) is a chemical compound with molecular formula C22H25NO2 and molecular weight 335.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
SKF-89976A
1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
Also Known As: Skf 89976A, SKF89976A, Biomol-NT_000246, SKF 89976A hydrochloride, N-(4,4-Diphenyl-3-butenyl)nipecotic acid
| Molecular Formula | C22H25NO2 |
|---|---|
| Molecular Weight | 335.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.18854 |
| Heavy Atoms | 25 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 85375-85-5 |
|---|---|
| SMILES | C1CC(CN(C1)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O |
| InChIKey | TXQKSMSLZVKQBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SKF-89976A (CAS 85375-85-5), with molecular formula C22H25NO2 and molecular weight 335.19 g/mol. IUPAC: 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid.
Chemical Property Profile of SKF-89976A
Property Insights of SKF-89976A
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SKF-89976A. With a topological polar surface area (TPSA) of 40.5 Ų, SKF-89976A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SKF-89976A 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 SKF-89976A?
The CAS number of SKF-89976A is 85375-85-5.
What is the molecular formula of SKF-89976A?
The molecular formula of SKF-89976A is C22H25NO2.
What is the molecular weight of SKF-89976A?
The molecular weight of SKF-89976A is 335.19 g/mol.
Where can I buy SKF-89976A?
You can request a quote for SKF-89976A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SKF-89976A?
Yes, KEHONG BIO provides custom synthesis services for SKF-89976A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.