Estradiene dione-3-keta
TL;DR: Estradiene dione-3-keta (CAS 5571-36-8) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,13R,14R)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
Also Known As: Estradiene dione-3-keta, (8R,13R,14R)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 3.9355 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 622.79803 |
Chemical Identifiers
| CAS Number | 5571-36-8 |
|---|---|
| SMILES | C[C@@]12CC=C3[C@@H]([C@H]1CCC2=O)CCC4=C3CCC5(C4)OCCO5 |
Product Overview
Estradiene dione-3-keta (CAS 5571-36-8), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: (8R,13R,14R)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one.
Chemical Property Profile of Estradiene dione-3-keta
Property Insights of Estradiene dione-3-keta
The XLogP value of 3.9355 indicates that Estradiene dione-3-keta is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Estradiene dione-3-keta exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiene dione-3-keta 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 Estradiene dione-3-keta?
The CAS number of Estradiene dione-3-keta is 5571-36-8.
What is the molecular formula of Estradiene dione-3-keta?
The molecular formula of Estradiene dione-3-keta is C20H26O3.
What is the molecular weight of Estradiene dione-3-keta?
The molecular weight of Estradiene dione-3-keta is 314.19 g/mol.
Where can I buy Estradiene dione-3-keta?
You can request a quote for Estradiene dione-3-keta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiene dione-3-keta?
Yes, KEHONG BIO provides custom synthesis services for Estradiene dione-3-keta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.