Xanthocidin
TL;DR: Xanthocidin (CAS 28413-93-6) is a chemical compound with molecular formula C11H16O5 and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3S)-2,3-dihydroxy-3-methyl-5-methylidene-4-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
Also Known As: Xanthocidin, (+)-Xanthocidin, Cyclopentanecarboxylic acid, 2,3-dihydroxy-2-isopropyl-3-methyl-5-methylene-4-oxo-, (+)-, Cyclopentanecarboxylic acid, 2,3-dihydroxy-3-methyl-5-methylene-2-(1-methylethyl)-4-oxo-, (1R,2S,3S)-2,3-dihydroxy-3-methyl-5-methylidene-4-oxo-2-(propan-2-yl)cyclopentane-1-carboxylic acid
| Molecular Formula | C11H16O5 |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.09978 |
| Heavy Atoms | 16 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 28413-93-6 |
|---|---|
| SMILES | CC(C)[C@@]1([C@@H](C(=C)C(=O)[C@@]1(C)O)C(=O)O)O |
| InChIKey | PBMOSPVYISYWDG-XROYCOCOSA-N |
Product Overview
Xanthocidin (CAS 28413-93-6), with molecular formula C11H16O5 and molecular weight 228.10 g/mol. IUPAC: (1R,2S,3S)-2,3-dihydroxy-3-methyl-5-methylidene-4-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid.
Chemical Property Profile of Xanthocidin
Property Insights of Xanthocidin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthocidin. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthocidin. Following Lipinski's Rule of Five, Xanthocidin has 3 hydrogen bond donor(s) and 5 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 Xanthocidin?
The CAS number of Xanthocidin is 28413-93-6.
What is the molecular formula of Xanthocidin?
The molecular formula of Xanthocidin is C11H16O5.
What is the molecular weight of Xanthocidin?
The molecular weight of Xanthocidin is 228.10 g/mol.
Where can I buy Xanthocidin?
You can request a quote for Xanthocidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthocidin?
Yes, KEHONG BIO provides custom synthesis services for Xanthocidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.