RefChem:139224
TL;DR: RefChem:139224 (CAS 60257-22-9) is a chemical compound with molecular formula C25H33NO3 and molecular weight 395.24603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 3-(dimethylamino)propanoate
Also Known As: Ethynylestradiol 3-dimethylaminopropionate, Cid 66407, [(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 3-(dimethylamino)propanoate, beta-Alanine, N,N-dimethyl-, (17alpha)-17-hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl ester, 17-Hydroxy-17alpha-19-norpregna-1,3,5(10)-trien-20-yn-3-yl N,N-dimethyl-beta-alaninate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H33NO3 |
| Molecular Weight | 395.24603 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.24603 Da |
| Heavy Atoms | 29 |
| Complexity | 681.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCN(C)C |
| InChIKey | FNTKWYIYCGWRSJ-BRPWVORNSA-N |
Chemical Property Profile of RefChem:139224
Property Insights of RefChem:139224
The XLogP value of 3.7 indicates that RefChem:139224 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:139224 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:139224 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:139224?
The CAS number of RefChem:139224 is 60257-22-9.
What is the molecular formula of RefChem:139224?
The molecular formula of RefChem:139224 is C25H33NO3.
What is the molecular weight of RefChem:139224?
The molecular weight of RefChem:139224 is 395.24603 g/mol.
Where can I buy RefChem:139224?
You can request a quote for RefChem:139224 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:139224?
Yes, CoreyChem provides custom synthesis services for RefChem:139224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.