Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate
TL;DR: Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate (CAS 61786-04-7) is a chemical compound with molecular formula C22H26O4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,13S,14S,17R)-3-acetyloxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: EINECS 262-966-1, Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate, estra-1,3,5 ,7-tetraene-3,17alpha-dioldiacetate, Estra-1,3,5(10),7-tetrene-3,17alpha-diol diacetate, 17alpha-Estra-1,3,5(10),7-tetraene-3,17-diyl diacetate
| Molecular Formula | C22H26O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 4.3198 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.1831 |
| Heavy Atoms | 26 |
| Complexity | 793.33203 |
Chemical Identifiers
| CAS Number | 61786-04-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4=C3C=CC(=C4)OC(=O)C)C |
Product Overview
Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate (CAS 61786-04-7), with molecular formula C22H26O4 and molecular weight 354.18 g/mol. IUPAC: [(9S,13S,14S,17R)-3-acetyloxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate
Property Insights of Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate
The XLogP value of 4.3198 indicates that Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate has 0 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 Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate?
The CAS number of Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate is 61786-04-7.
What is the molecular formula of Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate?
The molecular formula of Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate is C22H26O4.
What is the molecular weight of Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate?
The molecular weight of Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate is 354.18 g/mol.
Where can I buy Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate?
You can request a quote for Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate 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),7-tetraene-3,17alpha-diol diacetate?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.