Estriol 3,17-dihexanoate
TL;DR: Estriol 3,17-dihexanoate (CAS 104202-96-2) is a chemical compound with molecular formula C30H44O5 and molecular weight 484.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,16R,17R)-3-hexanoyloxy-16-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
Also Known As: Estriol 3,17-dihexanoate, estriol dihexanoate, E3-Hex, ESTRIOL 3,17.BETA.-DIHEXANOATE, [(8R,9S,13S,14S,16R,17R)-3-hexanoyloxy-16-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
| Molecular Formula | C30H44O5 |
|---|---|
| Molecular Weight | 484.32 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 484.31888 |
| Heavy Atoms | 35 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 104202-96-2 |
|---|---|
| SMILES | CCCCCC(=O)O[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CCCCC)C)O |
| InChIKey | ZOVABFBGAYSQTL-AECPDVIXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estriol 3,17-dihexanoate (CAS 104202-96-2), with molecular formula C30H44O5 and molecular weight 484.32 g/mol. IUPAC: [(8R,9S,13S,14S,16R,17R)-3-hexanoyloxy-16-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate.
Chemical Property Profile of Estriol 3,17-dihexanoate
Property Insights of Estriol 3,17-dihexanoate
The XLogP value of 7.0 indicates that Estriol 3,17-dihexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Estriol 3,17-dihexanoate. Following Lipinski's Rule of Five, Estriol 3,17-dihexanoate has 1 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 Estriol 3,17-dihexanoate?
The CAS number of Estriol 3,17-dihexanoate is 104202-96-2.
What is the molecular formula of Estriol 3,17-dihexanoate?
The molecular formula of Estriol 3,17-dihexanoate is C30H44O5.
What is the molecular weight of Estriol 3,17-dihexanoate?
The molecular weight of Estriol 3,17-dihexanoate is 484.32 g/mol.
Where can I buy Estriol 3,17-dihexanoate?
You can request a quote for Estriol 3,17-dihexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estriol 3,17-dihexanoate?
Yes, KEHONG BIO provides custom synthesis services for Estriol 3,17-dihexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.