Passisuberosin
TL;DR: Passisuberosin (CAS 119923-79-4) is a chemical compound with molecular formula C12H17NO8 and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
Also Known As: Passisuberosin, 2-(, A-d-glucopyranosyloxy)-4-hydroxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile, 2-(Hexopyranosyloxy)-4-hydroxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile, 2-(beta-D-glucopyranosyloxy)-4-hydroxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
| Molecular Formula | C12H17NO8 |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.09543 |
| Heavy Atoms | 21 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 119923-79-4 |
|---|---|
| SMILES | C1C(C2C(C1(C#N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O2)O |
| InChIKey | CDFHUZRDGPRGDK-LOUUASQKSA-N |
Product Overview
Passisuberosin (CAS 119923-79-4), with molecular formula C12H17NO8 and molecular weight 303.10 g/mol. IUPAC: 4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile.
Chemical Property Profile of Passisuberosin
Property Insights of Passisuberosin
The XLogP value of -3.1 indicates that Passisuberosin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Passisuberosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Passisuberosin has 5 hydrogen bond donor(s) and 9 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 Passisuberosin?
The CAS number of Passisuberosin is 119923-79-4.
What is the molecular formula of Passisuberosin?
The molecular formula of Passisuberosin is C12H17NO8.
What is the molecular weight of Passisuberosin?
The molecular weight of Passisuberosin is 303.10 g/mol.
Where can I buy Passisuberosin?
You can request a quote for Passisuberosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Passisuberosin?
Yes, KEHONG BIO provides custom synthesis services for Passisuberosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.