Estra-1(10),2,4-triene-3,16,17-triyl triacetate
TL;DR: Estra-1(10),2,4-triene-3,16,17-triyl triacetate (CAS 2284-32-4) 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.
(3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl) acetate
Also Known As: Estriol triacetate, ESTRIOL, TRIACETATE, 2,7-DIMETHYLNAPHTHALENE, estra-1(10),2,4-triene-3,16,17-triyl triacetate, (3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl) acetate
| Molecular Formula | C24H30O6 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 3.7 |
| 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 | 2284-32-4 |
|---|---|
| SMILES | CC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)C)C)C=CC(=C4)OC(=O)C |
| InChIKey | DKZPDNPWKHTWCC-UHFFFAOYSA-N |
Product Overview
Estra-1(10),2,4-triene-3,16,17-triyl triacetate (CAS 2284-32-4), with molecular formula C24H30O6 and molecular weight 414.20 g/mol. IUPAC: (3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl) acetate.
Chemical Property Profile of Estra-1(10),2,4-triene-3,16,17-triyl triacetate
Property Insights of Estra-1(10),2,4-triene-3,16,17-triyl triacetate
The XLogP value of 3.7 indicates that Estra-1(10),2,4-triene-3,16,17-triyl 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(10),2,4-triene-3,16,17-triyl triacetate. Following Lipinski's Rule of Five, Estra-1(10),2,4-triene-3,16,17-triyl 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(10),2,4-triene-3,16,17-triyl triacetate?
The CAS number of Estra-1(10),2,4-triene-3,16,17-triyl triacetate is 2284-32-4.
What is the molecular formula of Estra-1(10),2,4-triene-3,16,17-triyl triacetate?
The molecular formula of Estra-1(10),2,4-triene-3,16,17-triyl triacetate is C24H30O6.
What is the molecular weight of Estra-1(10),2,4-triene-3,16,17-triyl triacetate?
The molecular weight of Estra-1(10),2,4-triene-3,16,17-triyl triacetate is 414.20 g/mol.
Where can I buy Estra-1(10),2,4-triene-3,16,17-triyl triacetate?
You can request a quote for Estra-1(10),2,4-triene-3,16,17-triyl 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(10),2,4-triene-3,16,17-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for Estra-1(10),2,4-triene-3,16,17-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.