Benzacin
TL;DR: Benzacin (CAS 71-79-4) is a chemical compound with molecular formula C18H22ClNO3 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
Also Known As: Benzacin, Benzacin hydrochloride, Benzacine, Diphemin, Difemin
| Molecular Formula | C18H22ClNO3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 2.45 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.1288 |
| Heavy Atoms | 23 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 71-79-4 |
|---|---|
| SMILES | CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl |
| InChIKey | IJKAOMCJQZGZPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzacin (CAS 71-79-4), with molecular formula C18H22ClNO3 and molecular weight 335.13 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of Benzacin
Property Insights of Benzacin
The XLogP value of 2.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzacin. With a topological polar surface area (TPSA) of 49.8 Ų, Benzacin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzacin has 2 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 Benzacin?
The CAS number of Benzacin is 71-79-4.
What is the molecular formula of Benzacin?
The molecular formula of Benzacin is C18H22ClNO3.
What is the molecular weight of Benzacin?
The molecular weight of Benzacin is 335.13 g/mol.
Where can I buy Benzacin?
You can request a quote for Benzacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzacin?
Yes, KEHONG BIO provides custom synthesis services for Benzacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.