Metcaraphen
TL;DR: Metcaraphen (CAS 561-79-5) is a chemical compound with molecular formula C20H31NO2 and molecular weight 317.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 1-(3,4-dimethylphenyl)cyclopentane-1-carboxylate
Also Known As: Metcaraphen, Dimethylcaraminophen, METCARAPHEN [MI], 2-(2,4-dichlorophenoxy)acetonitrile, 4-09-00-02152 (Beilstein Handbook Reference)
| Molecular Formula | C20H31NO2 |
|---|---|
| Molecular Weight | 317.24 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 317.23547 |
| Heavy Atoms | 23 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 561-79-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1(CCCC1)C2=CC(=C(C=C2)C)C |
| InChIKey | PZXHGLCYRMTHNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metcaraphen (CAS 561-79-5), with molecular formula C20H31NO2 and molecular weight 317.24 g/mol. IUPAC: 2-(diethylamino)ethyl 1-(3,4-dimethylphenyl)cyclopentane-1-carboxylate.
Chemical Property Profile of Metcaraphen
Property Insights of Metcaraphen
The XLogP value of 4.6 indicates that Metcaraphen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Metcaraphen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metcaraphen has 0 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 Metcaraphen?
The CAS number of Metcaraphen is 561-79-5.
What is the molecular formula of Metcaraphen?
The molecular formula of Metcaraphen is C20H31NO2.
What is the molecular weight of Metcaraphen?
The molecular weight of Metcaraphen is 317.24 g/mol.
Where can I buy Metcaraphen?
You can request a quote for Metcaraphen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metcaraphen?
Yes, KEHONG BIO provides custom synthesis services for Metcaraphen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.