恩惜膜
TL;DR: 恩惜膜 (CAS 31066-40-7) is a chemical compound with molecular formula C30H37NO4 and molecular weight 475.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
恩惜膜
[(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Ulipristal acetate, Ulipristal, Ella, EllaOne, Esmya
| Molecular Formula | C30H37NO4 |
|---|---|
| Molecular Weight | 475.27 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.27225 |
| Heavy Atoms | 35 |
| Complexity | 984.0 |
Chemical Identifiers
| CAS Number | 31066-40-7 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)OC(=O)C |
| InChIKey | OOLLAFOLCSJHRE-ZHAKMVSLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
恩惜膜 (CAS 31066-40-7), with molecular formula C30H37NO4 and molecular weight 475.27 g/mol. IUPAC: [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 恩惜膜
Property Insights of 恩惜膜
The XLogP value of 3.5 indicates that 恩惜膜 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 恩惜膜. Following Lipinski's Rule of Five, 恩惜膜 has 0 hydrogen bond donor(s) and 5 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 恩惜膜?
The CAS number of 恩惜膜 is 31066-40-7.
What is the molecular formula of 恩惜膜?
The molecular formula of 恩惜膜 is C30H37NO4.
What is the molecular weight of 恩惜膜?
The molecular weight of 恩惜膜 is 475.27 g/mol.
Where can I buy 恩惜膜?
You can request a quote for 恩惜膜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 恩惜膜?
Yes, KEHONG BIO provides custom synthesis services for 恩惜膜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.