Emate
TL;DR: Emate (CAS 148672-09-7) is a chemical compound with molecular formula C18H23NO4S and molecular weight 349.13477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
雌酮3-O-氨磺酸酯
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
Also Known As: Estrone 3-O-Sulfamate, Emate compound, EMATE, Estrone Sulfamate, Estrone-3-O-sulfamate
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H23NO4S |
| Molecular Weight | 349.13477 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.13477 Da |
| Heavy Atoms | 24 |
| Complexity | 627.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N |
| InChIKey | RVKFQAJIXCZXQY-CBZIJGRNSA-N |
Chemical Property Profile of Emate
Property Insights of Emate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emate. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Emate. Following Lipinski's Rule of Five, Emate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Emate?
The CAS number of Emate is 148672-09-7.
What is the molecular formula of Emate?
The molecular formula of Emate is C18H23NO4S.
What is the molecular weight of Emate?
The molecular weight of Emate is 349.13477 g/mol.
Where can I buy Emate?
You can request a quote for Emate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Emate?
Yes, CoreyChem provides custom synthesis services for Emate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.