Prulaurasin
TL;DR: Prulaurasin (CAS 138-53-4) is a chemical compound with molecular formula C14H17NO6 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Also Known As: Prulaurasin, Mandelonitrile glucoside, Prunasin, Prunasine, D-Prunasin
| Molecular Formula | C14H17NO6 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1056 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
| Melting Point | 122 - 123 °C |
Chemical Identifiers
| CAS Number | 138-53-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | ZKSZEJFBGODIJW-MXNNCRBYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prulaurasin (CAS 138-53-4), with molecular formula C14H17NO6 and molecular weight 295.11 g/mol. IUPAC: 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile.
Chemical Property Profile of Prulaurasin
Property Insights of Prulaurasin
The XLogP value of -0.7 indicates that Prulaurasin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Prulaurasin. Following Lipinski's Rule of Five, Prulaurasin has 4 hydrogen bond donor(s) and 7 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 Prulaurasin?
The CAS number of Prulaurasin is 138-53-4.
What is the molecular formula of Prulaurasin?
The molecular formula of Prulaurasin is C14H17NO6.
What is the molecular weight of Prulaurasin?
The molecular weight of Prulaurasin is 295.11 g/mol.
Where can I buy Prulaurasin?
You can request a quote for Prulaurasin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prulaurasin?
Yes, KEHONG BIO provides custom synthesis services for Prulaurasin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.