3-Deoxyestrone
TL;DR: 3-Deoxyestrone (CAS 53-45-2) is a chemical compound with molecular formula C18H22O and molecular weight 254.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 3-Deoxyestrone, Adopron, Deoxyestrone, Desoxyestrone, Agrestin
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H22O |
| Molecular Weight | 254.16707 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.16707 Da |
| Heavy Atoms | 19 |
| Complexity | 387.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC=CC=C34 |
| InChIKey | LGHBWDKMGOIZKH-CBZIJGRNSA-N |
Product Description
Applications: 3-Deoxyestrone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Deoxyestrone (CAS 53-45-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 3-Deoxyestrone (CAS 53-45-2) has the molecular formula C18H22O and a molecular weight of 254.17 g/mol. It is also known as 3-Deoxyestrone and Adopron.
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 3-Deoxyestrone
Property Insights of 3-Deoxyestrone
The XLogP value of 3.5 indicates that 3-Deoxyestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Deoxyestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Deoxyestrone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Deoxyestrone?
The CAS number of 3-Deoxyestrone is 53-45-2.
What is the molecular formula of 3-Deoxyestrone?
The molecular formula of 3-Deoxyestrone is C18H22O.
What is the molecular weight of 3-Deoxyestrone?
The molecular weight of 3-Deoxyestrone is 254.16707 g/mol.
What are the applications of 3-Deoxyestrone?
3-Deoxyestrone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Deoxyestrone (CAS 53-45-2) with custom...
Where can I buy 3-Deoxyestrone?
You can request a quote for 3-Deoxyestrone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Deoxyestrone?
Yes, CoreyChem provides custom synthesis services for 3-Deoxyestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.