(+)-beta-Desmotroposantonin methyl ether
TL;DR: (+)-beta-Desmotroposantonin methyl ether (CAS 1693-61-4) is a chemical compound with molecular formula C16H20O3 and molecular weight 260.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
Also Known As: (+)-beta-Desmotroposantonin methyl ether, (+).beta.-Desmotroposantonin methyl ether, 8-methoxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one, 8-methoxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one
| Molecular Formula | C16H20O3 |
|---|---|
| Molecular Weight | 260.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.14124 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 1693-61-4 |
|---|---|
| SMILES | CC1C2CCC3=C(C2OC1=O)C(=C(C=C3C)OC)C |
| InChIKey | GNCNKCJJKNUKGL-UHFFFAOYSA-N |
Product Overview
(+)-beta-Desmotroposantonin methyl ether (CAS 1693-61-4), with molecular formula C16H20O3 and molecular weight 260.14 g/mol. IUPAC: 8-methoxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one.
Chemical Property Profile of (+)-beta-Desmotroposantonin methyl ether
Property Insights of (+)-beta-Desmotroposantonin methyl ether
The XLogP value of 3.3 indicates that (+)-beta-Desmotroposantonin methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (+)-beta-Desmotroposantonin methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-beta-Desmotroposantonin methyl ether 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 (+)-beta-Desmotroposantonin methyl ether?
The CAS number of (+)-beta-Desmotroposantonin methyl ether is 1693-61-4.
What is the molecular formula of (+)-beta-Desmotroposantonin methyl ether?
The molecular formula of (+)-beta-Desmotroposantonin methyl ether is C16H20O3.
What is the molecular weight of (+)-beta-Desmotroposantonin methyl ether?
The molecular weight of (+)-beta-Desmotroposantonin methyl ether is 260.14 g/mol.
Where can I buy (+)-beta-Desmotroposantonin methyl ether?
You can request a quote for (+)-beta-Desmotroposantonin methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-beta-Desmotroposantonin methyl ether?
Yes, KEHONG BIO provides custom synthesis services for (+)-beta-Desmotroposantonin methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.