Sodium estrone 3-monosulfate
TL;DR: Sodium estrone 3-monosulfate (CAS 12126-59-9) is a chemical compound with molecular formula C18H22NaO5S+ and molecular weight 373.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: evex, Premarin, Conestoral, Morestin, Hyhorin
| Molecular Formula | C18H22NaO5S+ |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 0.2974 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.10855 |
| Heavy Atoms | 25 |
| Complexity | 805.6845 |
Chemical Identifiers
| CAS Number | 12126-59-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.[Na+] |
Product Overview
Sodium estrone 3-monosulfate (CAS 12126-59-9), with molecular formula C18H22NaO5S+ and molecular weight 373.11 g/mol. IUPAC: sodium [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of Sodium estrone 3-monosulfate
Property Insights of Sodium estrone 3-monosulfate
The XLogP value of 0.2974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sodium estrone 3-monosulfate. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium estrone 3-monosulfate. Following Lipinski's Rule of Five, Sodium estrone 3-monosulfate has 1 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 Sodium estrone 3-monosulfate?
The CAS number of Sodium estrone 3-monosulfate is 12126-59-9.
What is the molecular formula of Sodium estrone 3-monosulfate?
The molecular formula of Sodium estrone 3-monosulfate is C18H22NaO5S+.
What is the molecular weight of Sodium estrone 3-monosulfate?
The molecular weight of Sodium estrone 3-monosulfate is 373.11 g/mol.
Where can I buy Sodium estrone 3-monosulfate?
You can request a quote for Sodium estrone 3-monosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium estrone 3-monosulfate?
Yes, KEHONG BIO provides custom synthesis services for Sodium estrone 3-monosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.