吉莉苷
TL;DR: 吉莉苷 (CAS 645-02-3) is a chemical compound with molecular formula C14H17NO7 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吉莉苷
(2S)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Also Known As: Zierin, allolactose, (2S)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile, Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)-, O-.BETA.-D-GLUCOPYRANOSYL-L-M-HYDROXYMANDELONITRILE
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1005 |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 645-02-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | KCVXNPDAHDGXFD-YOVYLDAJSA-N |
Product Overview
吉莉苷 (CAS 645-02-3), with molecular formula C14H17NO7 and molecular weight 311.10 g/mol. IUPAC: (2S)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile.
Chemical Property Profile of 吉莉苷
Property Insights of 吉莉苷
The XLogP value of -0.9 indicates that 吉莉苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 吉莉苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 吉莉苷 has 5 hydrogen bond donor(s) and 8 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 吉莉苷?
The CAS number of 吉莉苷 is 645-02-3.
What is the molecular formula of 吉莉苷?
The molecular formula of 吉莉苷 is C14H17NO7.
What is the molecular weight of 吉莉苷?
The molecular weight of 吉莉苷 is 311.10 g/mol.
Where can I buy 吉莉苷?
You can request a quote for 吉莉苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吉莉苷?
Yes, KEHONG BIO provides custom synthesis services for 吉莉苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.