亚麻苦苷
TL;DR: 亚麻苦苷 (CAS 554-35-8) is a chemical compound with molecular formula C10H17NO6 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚麻苦苷
2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile
Also Known As: LINAMARIN, Phaseolunatin, Manihotoxin, Linamarin min. 99%, LINAMARIN [MI]
| Molecular Formula | C10H17NO6 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.10559 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
| Melting Point | 142-143 °C |
| Solubility | FREELY SOL IN WATER, COLD ALCOHOL, HOT ACETONE; SLIGHTLY SOL IN HOT ETHYL ACETATE, ETHER, BENZENE, CHLOROFORM; PRACTICALLY INSOL IN PETROLEUM ETHER |
Chemical Identifiers
| CAS Number | 554-35-8 |
|---|---|
| SMILES | CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | QLTCHMYAEJEXBT-ZEBDFXRSSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚麻苦苷 (CAS 554-35-8), with molecular formula C10H17NO6 and molecular weight 247.11 g/mol. IUPAC: 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile.
Chemical Property Profile of 亚麻苦苷
Property Insights of 亚麻苦苷
The XLogP value of -1.8 indicates that 亚麻苦苷 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 亚麻苦苷. Following Lipinski's Rule of Five, 亚麻苦苷 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 亚麻苦苷?
The CAS number of 亚麻苦苷 is 554-35-8.
What is the molecular formula of 亚麻苦苷?
The molecular formula of 亚麻苦苷 is C10H17NO6.
What is the molecular weight of 亚麻苦苷?
The molecular weight of 亚麻苦苷 is 247.11 g/mol.
Where can I buy 亚麻苦苷?
You can request a quote for 亚麻苦苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚麻苦苷?
Yes, KEHONG BIO provides custom synthesis services for 亚麻苦苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.