![17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate structure](/static/products/2820/28200-94-4.webp)
17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate
TL;DR: 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate (CAS 28200-94-4) is a chemical compound with molecular formula C33H40O3 and molecular weight 484.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-17-(cycloocten-1-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: 17-(1-Cycloocten-1-yloxy)-(17beta)-estra-1,3,5(10)-trien-3-ol benzoate, 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate
| Molecular Formula | C33H40O3 |
|---|---|
| Molecular Weight | 484.30 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.29776 |
| Heavy Atoms | 36 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 28200-94-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4=CCCCCCC4)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | DOFNLZKUGHVIMH-MATKXCEJSA-N |
Product Overview
17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate (CAS 28200-94-4), with molecular formula C33H40O3 and molecular weight 484.30 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-17-(cycloocten-1-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate
Property Insights of 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate
The XLogP value of 8.0 indicates that 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate?
The CAS number of 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate is 28200-94-4.
What is the molecular formula of 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate?
The molecular formula of 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate is C33H40O3.
What is the molecular weight of 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate?
The molecular weight of 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate is 484.30 g/mol.
Where can I buy 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate?
You can request a quote for 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.