野黑樱苷
TL;DR: 野黑樱苷 (CAS 99-18-3) 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.
野黑樱苷
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Also Known As: Prunasin, (R)-Prunasin, D-Prunasin, Prulaurasin, Prunacin
| 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 | 147 - 148 °C |
Chemical Identifiers
| CAS Number | 99-18-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | ZKSZEJFBGODIJW-GMDXDWKASA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
野黑樱苷 (CAS 99-18-3), with molecular formula C14H17NO6 and molecular weight 295.11 g/mol. IUPAC: (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile.
Chemical Property Profile of 野黑樱苷
Property Insights of 野黑樱苷
The XLogP value of -0.7 indicates that 野黑樱苷 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 野黑樱苷. Following Lipinski's Rule of Five, 野黑樱苷 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 野黑樱苷?
The CAS number of 野黑樱苷 is 99-18-3.
What is the molecular formula of 野黑樱苷?
The molecular formula of 野黑樱苷 is C14H17NO6.
What is the molecular weight of 野黑樱苷?
The molecular weight of 野黑樱苷 is 295.11 g/mol.
Where can I buy 野黑樱苷?
You can request a quote for 野黑樱苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 野黑樱苷?
Yes, KEHONG BIO provides custom synthesis services for 野黑樱苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.