Estradiol mixture with estriol and estrone
TL;DR: Estradiol mixture with estriol and estrone (CAS 83661-65-8) is a chemical compound with molecular formula C54H70O7 and molecular weight 830.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Also Known As: Hormonin, Estradiol mixture with estriol and estrone, KST-1A8471, (8r,9s,13s,14s)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one;(8r,9s,13s,14s,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;(8r,9s,13s,14s,16r,17r)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol, (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
| Molecular Formula | C54H70O7 |
|---|---|
| Molecular Weight | 830.51 g/mol |
| LogP | 10.0066 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 830.51215 |
| Heavy Atoms | 61 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 83661-65-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | GVYXYMBQFWEWRH-MXEORCBVSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estradiol mixture with estriol and estrone (CAS 83661-65-8), with molecular formula C54H70O7 and molecular weight 830.51 g/mol. IUPAC: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol.
Chemical Property Profile of Estradiol mixture with estriol and estrone
Property Insights of Estradiol mixture with estriol and estrone
The XLogP value of 10.0066 indicates that Estradiol mixture with estriol and estrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol mixture with estriol and estrone. Following Lipinski's Rule of Five, Estradiol mixture with estriol and estrone has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estradiol mixture with estriol and estrone?
The CAS number of Estradiol mixture with estriol and estrone is 83661-65-8.
What is the molecular formula of Estradiol mixture with estriol and estrone?
The molecular formula of Estradiol mixture with estriol and estrone is C54H70O7.
What is the molecular weight of Estradiol mixture with estriol and estrone?
The molecular weight of Estradiol mixture with estriol and estrone is 830.51 g/mol.
Where can I buy Estradiol mixture with estriol and estrone?
You can request a quote for Estradiol mixture with estriol and estrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol mixture with estriol and estrone?
Yes, KEHONG BIO provides custom synthesis services for Estradiol mixture with estriol and estrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.