Estriol 16,17-diacetate
TL;DR: Estriol 16,17-diacetate (CAS 805-26-5) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl) acetate
Also Known As: Estriol 16,17-diacetate, (17-acetyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl) acetate, ESTRIOL 16,17-DIACETATE;1,3,5[10]-ESTRATRIEN-3,16ALPHA,17BETA-TRIOL 16,17-DIACETATE;ESTRIOL 16,17-DIACETATE MM(CRM STANDARD);oestriol diacetate;1,3,5(10)-Estratrien-3,16, A,17, A-triol 16,17-diacetate;1,3,5(10)-Estratrien-3,16a,17b-triol 16,17-diacetate
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 3.7216 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 771.9667 |
Chemical Identifiers
| CAS Number | 805-26-5 |
|---|---|
| SMILES | CC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)C)C)C=CC(=C4)O |
Product Overview
Estriol 16,17-diacetate (CAS 805-26-5), with molecular formula C22H28O5 and molecular weight 372.19 g/mol. IUPAC: (17-acetyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl) acetate.
Chemical Property Profile of Estriol 16,17-diacetate
Property Insights of Estriol 16,17-diacetate
The XLogP value of 3.7216 indicates that Estriol 16,17-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Estriol 16,17-diacetate. Following Lipinski's Rule of Five, Estriol 16,17-diacetate has 1 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 Estriol 16,17-diacetate?
The CAS number of Estriol 16,17-diacetate is 805-26-5.
What is the molecular formula of Estriol 16,17-diacetate?
The molecular formula of Estriol 16,17-diacetate is C22H28O5.
What is the molecular weight of Estriol 16,17-diacetate?
The molecular weight of Estriol 16,17-diacetate is 372.19 g/mol.
Where can I buy Estriol 16,17-diacetate?
You can request a quote for Estriol 16,17-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estriol 16,17-diacetate?
Yes, KEHONG BIO provides custom synthesis services for Estriol 16,17-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.