3-Epoxypropoxyestrone
TL;DR: 3-Epoxypropoxyestrone (CAS 58658-77-8) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-3-(oxiran-2-ylmethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 3-Epoxypropoxyestrone, 3-[(Oxiran-2-yl)methoxy]estra-1,3,5(10)-trien-17-one, 13-methyl-3-(oxiran-2-ylmethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 58658-77-8 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC5CO5 |
| InChIKey | KZQMJNTZMVHCMS-UHFFFAOYSA-N |
Product Overview
3-Epoxypropoxyestrone (CAS 58658-77-8), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: 13-methyl-3-(oxiran-2-ylmethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-Epoxypropoxyestrone
Property Insights of 3-Epoxypropoxyestrone
The XLogP value of 3.1 indicates that 3-Epoxypropoxyestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-Epoxypropoxyestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Epoxypropoxyestrone has 0 hydrogen bond donor(s) and 3 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 3-Epoxypropoxyestrone?
The CAS number of 3-Epoxypropoxyestrone is 58658-77-8.
What is the molecular formula of 3-Epoxypropoxyestrone?
The molecular formula of 3-Epoxypropoxyestrone is C21H26O3.
What is the molecular weight of 3-Epoxypropoxyestrone?
The molecular weight of 3-Epoxypropoxyestrone is 326.19 g/mol.
Where can I buy 3-Epoxypropoxyestrone?
You can request a quote for 3-Epoxypropoxyestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Epoxypropoxyestrone?
Yes, KEHONG BIO provides custom synthesis services for 3-Epoxypropoxyestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.