Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate
TL;DR: Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate (CAS 7454-76-4) is a chemical compound with molecular formula C24H30O6 and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,8R,9S,13S,14S,17S)-3,6-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 3,6-undecane-dione, Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate, Estra-1,3,5(10)-triene-3,6,17-triyl triacetate, estra-1,3,5(10)-triene-3,6, A,17
| Molecular Formula | C24H30O6 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.20422 |
| Heavy Atoms | 30 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 7454-76-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=C3C=CC(=C4)OC(=O)C)OC(=O)C)C |
| InChIKey | LMXGPAGGDXVARU-ULHSUKCYSA-N |
Product Overview
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate (CAS 7454-76-4), with molecular formula C24H30O6 and molecular weight 414.20 g/mol. IUPAC: [(6S,8R,9S,13S,14S,17S)-3,6-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate
Property Insights of Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate
The XLogP value of 3.9 indicates that Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate. Following Lipinski's Rule of Five, Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate has 0 hydrogen bond donor(s) and 6 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-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate?
The CAS number of Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate is 7454-76-4.
What is the molecular formula of Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate?
The molecular formula of Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate is C24H30O6.
What is the molecular weight of Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate?
The molecular weight of Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate is 414.20 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate?
You can request a quote for Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.