Estriol 3,17-dipropionate
TL;DR: Estriol 3,17-dipropionate (CAS 104202-88-2) is a chemical compound with molecular formula C24H32O5 and molecular weight 400.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,16R,17R)-16-hydroxy-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
Also Known As: E3-Prop, Estriol 3,17-dipropionate, ESTRIOL DIPROPIONATE, 3,4-Dimethoxy-1-naphthaldehyde, ESTRIOL 3,17.BETA.-DIPROPIONATE
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 104202-88-2 |
|---|---|
| SMILES | CCC(=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)CC)C)O |
| InChIKey | QKLDCEYHDKPVDK-PRIYMHJNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estriol 3,17-dipropionate (CAS 104202-88-2), with molecular formula C24H32O5 and molecular weight 400.22 g/mol. IUPAC: [(8R,9S,13S,14S,16R,17R)-16-hydroxy-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate.
Chemical Property Profile of Estriol 3,17-dipropionate
Property Insights of Estriol 3,17-dipropionate
The XLogP value of 4.1 indicates that Estriol 3,17-dipropionate 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-dipropionate. Following Lipinski's Rule of Five, Estriol 3,17-dipropionate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estriol 3,17-dipropionate?
The CAS number of Estriol 3,17-dipropionate is 104202-88-2.
What is the molecular formula of Estriol 3,17-dipropionate?
The molecular formula of Estriol 3,17-dipropionate is C24H32O5.
What is the molecular weight of Estriol 3,17-dipropionate?
The molecular weight of Estriol 3,17-dipropionate is 400.22 g/mol.
Where can I buy Estriol 3,17-dipropionate?
You can request a quote for Estriol 3,17-dipropionate 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-dipropionate?
Yes, KEHONG BIO provides custom synthesis services for Estriol 3,17-dipropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.