Tomentosin
TL;DR: Tomentosin (CAS 33649-15-9) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,7S,8aR)-7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
Also Known As: Tomentosin, Xanthalongi, 6-Deacetoxybritanlin G, Tomentosin (Parthenium), SID:406845026
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 33649-15-9 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H](CC=C1CCC(=O)C)C(=C)C(=O)O2 |
| InChIKey | AVFIYMSJDDGDBQ-CUOATXAZSA-N |
Product Overview
Tomentosin (CAS 33649-15-9), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (3aR,7S,8aR)-7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one.
Chemical Property Profile of Tomentosin
Property Insights of Tomentosin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tomentosin. With a topological polar surface area (TPSA) of 43.4 Ų, Tomentosin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tomentosin 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 Tomentosin?
The CAS number of Tomentosin is 33649-15-9.
What is the molecular formula of Tomentosin?
The molecular formula of Tomentosin is C15H20O3.
What is the molecular weight of Tomentosin?
The molecular weight of Tomentosin is 248.14 g/mol.
Where can I buy Tomentosin?
You can request a quote for Tomentosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tomentosin?
Yes, KEHONG BIO provides custom synthesis services for Tomentosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.