Ethinyl estradiol 17-hemisuccinate
TL;DR: Ethinyl estradiol 17-hemisuccinate (CAS 138219-86-0) is a chemical compound with molecular formula C24H28O5 and molecular weight 396.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid
Also Known As: Ethinyl estradiol 17-hemisuccinate, Ethynyl estradiol 17beta-hemisuccinate, 17beta-Hemisuccinyl-17-ethynylestradiol, ethynyl estradiol 17 beta-hemisuccinate, 4-{[(17
| Molecular Formula | C24H28O5 |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.19366 |
| Heavy Atoms | 29 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 138219-86-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | QAMBZAFJJRRREH-WOLONVGXSA-N |
Product Overview
Ethinyl estradiol 17-hemisuccinate (CAS 138219-86-0), with molecular formula C24H28O5 and molecular weight 396.19 g/mol. IUPAC: 4-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of Ethinyl estradiol 17-hemisuccinate
Property Insights of Ethinyl estradiol 17-hemisuccinate
The XLogP value of 3.7 indicates that Ethinyl estradiol 17-hemisuccinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethinyl estradiol 17-hemisuccinate. Following Lipinski's Rule of Five, Ethinyl estradiol 17-hemisuccinate has 2 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 Ethinyl estradiol 17-hemisuccinate?
The CAS number of Ethinyl estradiol 17-hemisuccinate is 138219-86-0.
What is the molecular formula of Ethinyl estradiol 17-hemisuccinate?
The molecular formula of Ethinyl estradiol 17-hemisuccinate is C24H28O5.
What is the molecular weight of Ethinyl estradiol 17-hemisuccinate?
The molecular weight of Ethinyl estradiol 17-hemisuccinate is 396.19 g/mol.
Where can I buy Ethinyl estradiol 17-hemisuccinate?
You can request a quote for Ethinyl estradiol 17-hemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethinyl estradiol 17-hemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for Ethinyl estradiol 17-hemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.