Estr-4-en-17-one
TL;DR: Estr-4-en-17-one (CAS 3646-28-4) is a chemical compound with molecular formula C18H26O and molecular weight 258.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S)-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Also Known As: estr-4-en-17-one, Oestr-4-en-17-one, Estrernone, Allylestrenol Impurity A, ESTRENONE
| Molecular Formula | C18H26O |
|---|---|
| Molecular Weight | 258.20 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.19836 |
| Heavy Atoms | 19 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 3646-28-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@H]34 |
| InChIKey | OLYAEHZZXXLNQQ-QXUSFIETSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estr-4-en-17-one (CAS 3646-28-4), with molecular formula C18H26O and molecular weight 258.20 g/mol. IUPAC: (8R,9S,10R,13S,14S)-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of Estr-4-en-17-one
Property Insights of Estr-4-en-17-one
The XLogP value of 4.0 indicates that Estr-4-en-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Estr-4-en-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estr-4-en-17-one has 0 hydrogen bond donor(s) and 1 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 Estr-4-en-17-one?
The CAS number of Estr-4-en-17-one is 3646-28-4.
What is the molecular formula of Estr-4-en-17-one?
The molecular formula of Estr-4-en-17-one is C18H26O.
What is the molecular weight of Estr-4-en-17-one?
The molecular weight of Estr-4-en-17-one is 258.20 g/mol.
Where can I buy Estr-4-en-17-one?
You can request a quote for Estr-4-en-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estr-4-en-17-one?
Yes, KEHONG BIO provides custom synthesis services for Estr-4-en-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.