Estradiol Hemihydrate
TL;DR: Estradiol Hemihydrate (CAS 35380-71-3) is a chemical compound with molecular formula C36H50O5 and molecular weight 562.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol);hydrate
Also Known As: ESTRADIOL HEMIHYDRATE, Estrasorb, 17b-Estradiol, beta-Estradiol semihydrate, Estrasorb (TN)
| Molecular Formula | C36H50O5 |
|---|---|
| Molecular Weight | 562.37 g/mol |
| LogP | 6.3937 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 562.36584 |
| Heavy Atoms | 41 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 35380-71-3 |
|---|---|
| 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]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.O |
| InChIKey | ZVVGLAMWAQMPDR-WVEWYJOQSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estradiol Hemihydrate (CAS 35380-71-3), with molecular formula C36H50O5 and molecular weight 562.37 g/mol. IUPAC: bis((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol);hydrate.
Chemical Property Profile of Estradiol Hemihydrate
Property Insights of Estradiol Hemihydrate
The XLogP value of 6.3937 indicates that Estradiol Hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol Hemihydrate. Following Lipinski's Rule of Five, Estradiol Hemihydrate has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estradiol Hemihydrate?
The CAS number of Estradiol Hemihydrate is 35380-71-3.
What is the molecular formula of Estradiol Hemihydrate?
The molecular formula of Estradiol Hemihydrate is C36H50O5.
What is the molecular weight of Estradiol Hemihydrate?
The molecular weight of Estradiol Hemihydrate is 562.37 g/mol.
Where can I buy Estradiol Hemihydrate?
You can request a quote for Estradiol Hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol Hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol Hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.