二甲炔酮
TL;DR: 二甲炔酮 (CAS 79-64-1) is a chemical compound with molecular formula C23H32O2 and molecular weight 340.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲炔酮
(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
Also Known As: DIMETHISTERONE, Dimethisteron, Secrosteron, Lutogan, Dimethisterone anhydrous
| Molecular Formula | C23H32O2 |
|---|---|
| Molecular Weight | 340.24 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.24023 |
| Heavy Atoms | 25 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 79-64-1 |
|---|---|
| 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 |
| InChIKey | LVHOURKCKUYIGK-RGUJTQARSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲炔酮 (CAS 79-64-1), with molecular formula C23H32O2 and molecular weight 340.24 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.
Chemical Property Profile of 二甲炔酮
Property Insights of 二甲炔酮
The XLogP value of 4.4 indicates that 二甲炔酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 二甲炔酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲炔酮 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
Frequently Asked Questions
What is the CAS number of 二甲炔酮?
The CAS number of 二甲炔酮 is 79-64-1.
What is the molecular formula of 二甲炔酮?
The molecular formula of 二甲炔酮 is C23H32O2.
What is the molecular weight of 二甲炔酮?
The molecular weight of 二甲炔酮 is 340.24 g/mol.
Where can I buy 二甲炔酮?
You can request a quote for 二甲炔酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲炔酮?
Yes, KEHONG BIO provides custom synthesis services for 二甲炔酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.