1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate
TL;DR: 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate (CAS 4147-06-2) is a chemical compound with molecular formula C22H26O5 and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
Also Known As: 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate, 4-08-00-02400 (Beilstein Handbook Reference), 17-Oxoestra-1(10),2,4-triene-1,3-diyl diacetate, ESTRA-1,3,5(10)-TRIEN-17-ONE, 1,4-DIHYDROXY-, DIACETATE, (1-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
| Molecular Formula | C22H26O5 |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.178 |
| Heavy Atoms | 27 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 4147-06-2 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C3CCC4(C(C3CC2)CCC4=O)C)C(=C1)OC(=O)C |
| InChIKey | WVDGQSUGVZLSHZ-UHFFFAOYSA-N |
Product Overview
1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate (CAS 4147-06-2), with molecular formula C22H26O5 and molecular weight 370.18 g/mol. IUPAC: (1-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate.
Chemical Property Profile of 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate
Property Insights of 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate
The XLogP value of 3.0 indicates that 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate. Following Lipinski's Rule of Five, 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate has 0 hydrogen bond donor(s) and 5 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 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate?
The CAS number of 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate is 4147-06-2.
What is the molecular formula of 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate?
The molecular formula of 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate is C22H26O5.
What is the molecular weight of 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate?
The molecular weight of 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate is 370.18 g/mol.
Where can I buy 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate?
You can request a quote for 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydroxyestra-1,3,5(10)-trien-17-one diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.