Xanthatin
TL;DR: Xanthatin (CAS 30890-35-8) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-methylidene-6-(3-oxobut-1-enyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
Also Known As: Xanthatin, 8-Epixanthatin, 8-epi-Xanthatin, NCI60_000832, 7-methyl-3-methylidene-6-(3-oxobut-1-enyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 30890-35-8 |
|---|---|
| SMILES | CC1CC2C(CC=C1C=CC(=O)C)C(=C)C(=O)O2 |
| InChIKey | RBRPTFMVULVGIC-UHFFFAOYSA-N |
Product Overview
Xanthatin (CAS 30890-35-8), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: 7-methyl-3-methylidene-6-(3-oxobut-1-enyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one.
Chemical Property Profile of Xanthatin
Property Insights of Xanthatin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthatin. With a topological polar surface area (TPSA) of 43.4 Ų, Xanthatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthatin has 0 hydrogen bond donor(s) and 3 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 Xanthatin?
The CAS number of Xanthatin is 30890-35-8.
What is the molecular formula of Xanthatin?
The molecular formula of Xanthatin is C15H18O3.
What is the molecular weight of Xanthatin?
The molecular weight of Xanthatin is 246.13 g/mol.
Where can I buy Xanthatin?
You can request a quote for Xanthatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthatin?
Yes, KEHONG BIO provides custom synthesis services for Xanthatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.