2-Hydroxyestradiol 17-acetate
TL;DR: 2-Hydroxyestradiol 17-acetate (CAS 2671-42-3) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-2,3-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 2-Hydroxyestradiol 17-acetate, KST-1A3318, (17, A)-2,3-dihydroxyestra-1(10),2,4-trien-17-yl acetate, 2,3-Dihydroxyestra-1(10),2,4-trien-17-yl acetate
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 2671-42-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=C(C=C34)O)O)C |
| InChIKey | KAQDVJJRJUJFIH-BKRJIHRRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxyestradiol 17-acetate (CAS 2671-42-3), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-2,3-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 2-Hydroxyestradiol 17-acetate
Property Insights of 2-Hydroxyestradiol 17-acetate
The XLogP value of 4.2 indicates that 2-Hydroxyestradiol 17-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxyestradiol 17-acetate. Following Lipinski's Rule of Five, 2-Hydroxyestradiol 17-acetate has 2 hydrogen bond donor(s) and 4 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-Hydroxyestradiol 17-acetate?
The CAS number of 2-Hydroxyestradiol 17-acetate is 2671-42-3.
What is the molecular formula of 2-Hydroxyestradiol 17-acetate?
The molecular formula of 2-Hydroxyestradiol 17-acetate is C20H26O4.
What is the molecular weight of 2-Hydroxyestradiol 17-acetate?
The molecular weight of 2-Hydroxyestradiol 17-acetate is 330.18 g/mol.
Where can I buy 2-Hydroxyestradiol 17-acetate?
You can request a quote for 2-Hydroxyestradiol 17-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyestradiol 17-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyestradiol 17-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.