Benzoin hemisuccinate
TL;DR: Benzoin hemisuccinate (CAS 306935-85-3) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-oxo-1,2-diphenylethoxy)butanoic acid
Also Known As: Benzoin hemisuccinate, 4-(2-oxo-1,2-diphenylethoxy)butanoic acid, 9698AD, 4-(2-oxo-1,2-diphenyl-ethoxy)butanoic Acid, Butanoic acid, 4-(2-oxo-1,2-diphenylethoxy)-
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.492 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 607.49896 |
Chemical Identifiers
| CAS Number | 306935-85-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OCCCC(=O)O |
Product Overview
Benzoin hemisuccinate (CAS 306935-85-3), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 4-(2-oxo-1,2-diphenylethoxy)butanoic acid.
Chemical Property Profile of Benzoin hemisuccinate
Property Insights of Benzoin hemisuccinate
The XLogP value of 3.492 indicates that Benzoin hemisuccinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoin hemisuccinate. Following Lipinski's Rule of Five, Benzoin hemisuccinate 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 Benzoin hemisuccinate?
The CAS number of Benzoin hemisuccinate is 306935-85-3.
What is the molecular formula of Benzoin hemisuccinate?
The molecular formula of Benzoin hemisuccinate is C18H18O4.
What is the molecular weight of Benzoin hemisuccinate?
The molecular weight of Benzoin hemisuccinate is 298.12 g/mol.
Where can I buy Benzoin hemisuccinate?
You can request a quote for Benzoin hemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoin hemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for Benzoin hemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.