17-Dioxanylestradiol
TL;DR: 17-Dioxanylestradiol (CAS 34522-49-1) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-17-(1,4-dioxan-2-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 17-Dioxanylestradiol, 17, A-(1,4-dioxan-2-yloxy)estra-1,3,5(10)-trien-3-ol, (8R,9S,13S,14S,17S)-17-(1,4-dioxan-2-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, 17 beta-(1,4-dioxan-2-yloxy)estra-1,3,5(10)-trien-3-ol
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 34522-49-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4COCCO4)CCC5=C3C=CC(=C5)O |
| InChIKey | JVZARWLJXSUUKY-GQTGZYIQSA-N |
Product Overview
17-Dioxanylestradiol (CAS 34522-49-1), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: (8R,9S,13S,14S,17S)-17-(1,4-dioxan-2-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 17-Dioxanylestradiol
Property Insights of 17-Dioxanylestradiol
The XLogP value of 4.2 indicates that 17-Dioxanylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 17-Dioxanylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Dioxanylestradiol has 1 hydrogen bond donor(s) and 4 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 17-Dioxanylestradiol?
The CAS number of 17-Dioxanylestradiol is 34522-49-1.
What is the molecular formula of 17-Dioxanylestradiol?
The molecular formula of 17-Dioxanylestradiol is C22H30O4.
What is the molecular weight of 17-Dioxanylestradiol?
The molecular weight of 17-Dioxanylestradiol is 358.21 g/mol.
Where can I buy 17-Dioxanylestradiol?
You can request a quote for 17-Dioxanylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Dioxanylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 17-Dioxanylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.