2-Hydroxyethynylestradiol
TL;DR: 2-Hydroxyethynylestradiol (CAS 50394-89-3) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol
Also Known As: 2-Hydroxyethynylestradiol, 2-Hydroxy Ethynyl Estradiol, 17, A-Ethynyl-2-hydroxyestradiol, 19-Norpregna-1(10),2,4-trien-20-yne-2,3,17-triol
| Molecular Formula | C20H24O3 |
|---|---|
| Molecular Weight | 312.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.17255 |
| Heavy Atoms | 23 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 50394-89-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=C(C=C34)O)O |
| InChIKey | KQJCDKMHNQVWDV-CRWCAEIDSA-N |
Product Overview
2-Hydroxyethynylestradiol (CAS 50394-89-3), with molecular formula C20H24O3 and molecular weight 312.17 g/mol. IUPAC: (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol.
Chemical Property Profile of 2-Hydroxyethynylestradiol
Property Insights of 2-Hydroxyethynylestradiol
The XLogP value of 3.3 indicates that 2-Hydroxyethynylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxyethynylestradiol. Following Lipinski's Rule of Five, 2-Hydroxyethynylestradiol has 3 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 2-Hydroxyethynylestradiol?
The CAS number of 2-Hydroxyethynylestradiol is 50394-89-3.
What is the molecular formula of 2-Hydroxyethynylestradiol?
The molecular formula of 2-Hydroxyethynylestradiol is C20H24O3.
What is the molecular weight of 2-Hydroxyethynylestradiol?
The molecular weight of 2-Hydroxyethynylestradiol is 312.17 g/mol.
Where can I buy 2-Hydroxyethynylestradiol?
You can request a quote for 2-Hydroxyethynylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyethynylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyethynylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.