Estradiol 3-propyl ether
TL;DR: Estradiol 3-propyl ether (CAS 22034-63-5) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Also Known As: Estradiol 3-propyl ether, estradiol3-propylether, Promestriene Impurity 3, 3-propoxyestra-1,3,5(10)-trien-17, A-ol
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 22034-63-5 |
|---|---|
| SMILES | CCCOC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C |
| InChIKey | OKWLCMYNQNHQSR-MJCUULBUSA-N |
Product Overview
Estradiol 3-propyl ether (CAS 22034-63-5), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: (8R,9S,13S,14S,17S)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of Estradiol 3-propyl ether
Property Insights of Estradiol 3-propyl ether
The XLogP value of 3.9 indicates that Estradiol 3-propyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Estradiol 3-propyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiol 3-propyl ether has 1 hydrogen bond donor(s) and 2 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 Estradiol 3-propyl ether?
The CAS number of Estradiol 3-propyl ether is 22034-63-5.
What is the molecular formula of Estradiol 3-propyl ether?
The molecular formula of Estradiol 3-propyl ether is C21H30O2.
What is the molecular weight of Estradiol 3-propyl ether?
The molecular weight of Estradiol 3-propyl ether is 314.22 g/mol.
Where can I buy Estradiol 3-propyl ether?
You can request a quote for Estradiol 3-propyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol 3-propyl ether?
Yes, KEHONG BIO provides custom synthesis services for Estradiol 3-propyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.