Estra-1,5(10)-diene-3,4,17-trione
TL;DR: Estra-1,5(10)-diene-3,4,17-trione (CAS 40551-34-6) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,4,17-trione
Also Known As: 3,4-Estrone quinone, Estrone-3,4-quinone, 3,4-estrone o-quinone, 3,4-estrone-o-quinone, 3,4-estronequinone
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 40551-34-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=O)C4=O |
| InChIKey | REMSDZFYMQQJFD-QDTBLXIISA-N |
Product Overview
Estra-1,5(10)-diene-3,4,17-trione (CAS 40551-34-6), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,4,17-trione.
Chemical Property Profile of Estra-1,5(10)-diene-3,4,17-trione
Property Insights of Estra-1,5(10)-diene-3,4,17-trione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estra-1,5(10)-diene-3,4,17-trione. With a topological polar surface area (TPSA) of 51.2 Ų, Estra-1,5(10)-diene-3,4,17-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,5(10)-diene-3,4,17-trione has 0 hydrogen bond donor(s) and 3 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 Estra-1,5(10)-diene-3,4,17-trione?
The CAS number of Estra-1,5(10)-diene-3,4,17-trione is 40551-34-6.
What is the molecular formula of Estra-1,5(10)-diene-3,4,17-trione?
The molecular formula of Estra-1,5(10)-diene-3,4,17-trione is C18H20O3.
What is the molecular weight of Estra-1,5(10)-diene-3,4,17-trione?
The molecular weight of Estra-1,5(10)-diene-3,4,17-trione is 284.14 g/mol.
Where can I buy Estra-1,5(10)-diene-3,4,17-trione?
You can request a quote for Estra-1,5(10)-diene-3,4,17-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1,5(10)-diene-3,4,17-trione?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,5(10)-diene-3,4,17-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.