Benactyzine
TL;DR: Benactyzine (CAS 302-40-9) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
Also Known As: BENACTYZINE, Benactyzin, Diazil, Benzactyzine, Benacticina
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 351.0 |
| Melting Point | 177-178 (Hydrochloride salt) |
Chemical Identifiers
| CAS Number | 302-40-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O |
| InChIKey | IVQOFBKHQCTVQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benactyzine (CAS 302-40-9), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Benactyzine
Property Insights of Benactyzine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benactyzine. With a topological polar surface area (TPSA) of 49.8 Ų, Benactyzine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benactyzine has 1 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 Benactyzine?
The CAS number of Benactyzine is 302-40-9.
What is the molecular formula of Benactyzine?
The molecular formula of Benactyzine is C20H25NO3.
What is the molecular weight of Benactyzine?
The molecular weight of Benactyzine is 327.18 g/mol.
Where can I buy Benactyzine?
You can request a quote for Benactyzine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benactyzine?
Yes, KEHONG BIO provides custom synthesis services for Benactyzine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.