Dimethisterone Monohydrate
TL;DR: Dimethisterone Monohydrate (CAS 41354-30-7) is a chemical compound with molecular formula C23H34O3 and molecular weight 358.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;hydrate
Also Known As: DIMETHISTERONE, Dimethisteron, Dimethisterone hydrate, Dimethisterone monohydrate, Dimethisterone (JAN/USAN)
| Molecular Formula | C23H34O3 |
|---|---|
| Molecular Weight | 358.25 g/mol |
| LogP | 3.69 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.2508 |
| Heavy Atoms | 26 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 41354-30-7 |
|---|---|
| SMILES | CC#C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C)C)O.O |
| InChIKey | REHJTMDOJHAPJV-IVTQUDKZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethisterone Monohydrate (CAS 41354-30-7), with molecular formula C23H34O3 and molecular weight 358.25 g/mol. IUPAC: (6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;hydrate.
Chemical Property Profile of Dimethisterone Monohydrate
Property Insights of Dimethisterone Monohydrate
The XLogP value of 3.69 indicates that Dimethisterone Monohydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Dimethisterone Monohydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethisterone Monohydrate has 2 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 Dimethisterone Monohydrate?
The CAS number of Dimethisterone Monohydrate is 41354-30-7.
What is the molecular formula of Dimethisterone Monohydrate?
The molecular formula of Dimethisterone Monohydrate is C23H34O3.
What is the molecular weight of Dimethisterone Monohydrate?
The molecular weight of Dimethisterone Monohydrate is 358.25 g/mol.
Where can I buy Dimethisterone Monohydrate?
You can request a quote for Dimethisterone Monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethisterone Monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Dimethisterone Monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.