Ethinyl estradiol; ethynodiol diacetate
TL;DR: Ethinyl estradiol; ethynodiol diacetate (CAS 8075-78-3) is a chemical compound with molecular formula C44H56O6 and molecular weight 680.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: Bisecurin, Demulen, Lestrin, Bisecurin II, Kelnor
| Molecular Formula | C44H56O6 |
|---|---|
| Molecular Weight | 680.41 g/mol |
| LogP | 8.04 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 680.4077 |
| Heavy Atoms | 50 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 8075-78-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C#C)OC(=O)C)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | STZJJZZLAXIFHB-DIRPKPHOSA-N |
Product Overview
Ethinyl estradiol; ethynodiol diacetate (CAS 8075-78-3), with molecular formula C44H56O6 and molecular weight 680.41 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Ethinyl estradiol; ethynodiol diacetate
Property Insights of Ethinyl estradiol; ethynodiol diacetate
The XLogP value of 8.04 indicates that Ethinyl estradiol; ethynodiol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethinyl estradiol; ethynodiol diacetate. Following Lipinski's Rule of Five, Ethinyl estradiol; ethynodiol diacetate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethinyl estradiol; ethynodiol diacetate?
The CAS number of Ethinyl estradiol; ethynodiol diacetate is 8075-78-3.
What is the molecular formula of Ethinyl estradiol; ethynodiol diacetate?
The molecular formula of Ethinyl estradiol; ethynodiol diacetate is C44H56O6.
What is the molecular weight of Ethinyl estradiol; ethynodiol diacetate?
The molecular weight of Ethinyl estradiol; ethynodiol diacetate is 680.41 g/mol.
Where can I buy Ethinyl estradiol; ethynodiol diacetate?
You can request a quote for Ethinyl estradiol; ethynodiol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethinyl estradiol; ethynodiol diacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethinyl estradiol; ethynodiol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.