Isoequilenin
TL;DR: Isoequilenin (CAS 517-09-9) is a chemical compound with molecular formula C18H18O2 and molecular weight 266.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Also Known As: Isoequilenin, EQUILENIN, Equilenine, Equilenina, d-Equilenin
Technical Specifications
| Molecular Formula | C18H18O2 |
| Molecular Weight | 266.13068 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.13068 Da |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
| SMILES | CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O |
| InChIKey | PDRGHUMCVRDZLQ-UHFFFAOYSA-N |
Product Description
Applications: Isoequilenin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Isoequilenin (CAS 517-09-9) is a fine chemical with the molecular formula C18H18O2 and a molecular weight of 266.13 g/mol. Synonyms include Isoequilenin and EQUILENIN.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isoequilenin
Property Insights of Isoequilenin
The XLogP value of 3.5 indicates that Isoequilenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Isoequilenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoequilenin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoequilenin?
The CAS number of Isoequilenin is 517-09-9.
What is the molecular formula of Isoequilenin?
The molecular formula of Isoequilenin is C18H18O2.
What is the molecular weight of Isoequilenin?
The molecular weight of Isoequilenin is 266.13068 g/mol.
What are the applications of Isoequilenin?
Isoequilenin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Isoequilenin?
You can request a quote for Isoequilenin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoequilenin?
Yes, CoreyChem provides custom synthesis services for Isoequilenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.