依西美坦
TL;DR: 依西美坦 (CAS 107868-30-4) is a chemical compound with molecular formula C20H24O2 and molecular weight 296.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依西美坦
(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
Also Known As: Aromasin, Exemestano, Exemestanum, Aromasine, Aromasil
| Molecular Formula | C20H24O2 |
|---|---|
| Molecular Weight | 296.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.17764 |
| Heavy Atoms | 22 |
| Complexity | 653.0 |
| Melting Point | 155.13 |
| Solubility | Non-soluble |
Chemical Identifiers
| CAS Number | 107868-30-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C |
| InChIKey | BFYIZQONLCFLEV-DAELLWKTSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依西美坦 (CAS 107868-30-4), with molecular formula C20H24O2 and molecular weight 296.18 g/mol. IUPAC: (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 依西美坦
Property Insights of 依西美坦
The XLogP value of 3.1 indicates that 依西美坦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 依西美坦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依西美坦 has 0 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 依西美坦?
The CAS number of 依西美坦 is 107868-30-4.
What is the molecular formula of 依西美坦?
The molecular formula of 依西美坦 is C20H24O2.
What is the molecular weight of 依西美坦?
The molecular weight of 依西美坦 is 296.18 g/mol.
Where can I buy 依西美坦?
You can request a quote for 依西美坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依西美坦?
Yes, KEHONG BIO provides custom synthesis services for 依西美坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.