2,4-Dihydroxyestrone
TL;DR: 2,4-Dihydroxyestrone (CAS 5425-33-2) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 2,4-Dihydroxyestrone, 2,4-Dihydroxyoestron, 2,3,4-trihydroxyestra-1(10),2,4-trien-17-one, J3.037.841E, Estra-1,3,5(10)-trien-17-one, 2,3,4-trihydroxy-
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 5425-33-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)O)O)O |
| InChIKey | JHMKRVZOGMNBGV-HIONPOMWSA-N |
Product Overview
2,4-Dihydroxyestrone (CAS 5425-33-2), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: (8R,9S,13S,14S)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 2,4-Dihydroxyestrone
Property Insights of 2,4-Dihydroxyestrone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydroxyestrone. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydroxyestrone. Following Lipinski's Rule of Five, 2,4-Dihydroxyestrone has 3 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 2,4-Dihydroxyestrone?
The CAS number of 2,4-Dihydroxyestrone is 5425-33-2.
What is the molecular formula of 2,4-Dihydroxyestrone?
The molecular formula of 2,4-Dihydroxyestrone is C18H22O4.
What is the molecular weight of 2,4-Dihydroxyestrone?
The molecular weight of 2,4-Dihydroxyestrone is 302.15 g/mol.
Where can I buy 2,4-Dihydroxyestrone?
You can request a quote for 2,4-Dihydroxyestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydroxyestrone?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydroxyestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.