13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion
TL;DR: 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion (CAS 850-92-0) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione
Also Known As: 13-Emsgtd, 2-(2-(3,4-Dihydro-6-methoxy-1(2H)-naphthylidene)ethyl)-2-ethylcyclopentane-1,3-dione, EC 212-705-2, 2-ethyl-2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione, 3-methoxy-13-ethyl-8,14-seco-1,3,5(10),9(11)-estratetraen-14,17-dione
| Molecular Formula | C20H24O3 |
|---|---|
| Molecular Weight | 312.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.17255 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 850-92-0 |
|---|---|
| SMILES | CCC1(C(=O)CCC1=O)CC=C2CCCC3=C2C=CC(=C3)OC |
| InChIKey | OMXFYKCGCDGYNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion (CAS 850-92-0), with molecular formula C20H24O3 and molecular weight 312.17 g/mol. IUPAC: 2-ethyl-2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione.
Chemical Property Profile of 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion
Property Insights of 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion
The XLogP value of 3.4 indicates that 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion 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 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion?
The CAS number of 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion is 850-92-0.
What is the molecular formula of 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion?
The molecular formula of 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion is C20H24O3.
What is the molecular weight of 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion?
The molecular weight of 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion is 312.17 g/mol.
Where can I buy 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion?
You can request a quote for 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion?
Yes, KEHONG BIO provides custom synthesis services for 13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.