雌酮半琥珀酸酯
TL;DR: 雌酮半琥珀酸酯 (CAS 58534-72-8) is a chemical compound with molecular formula C22H26O5 and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雌酮半琥珀酸酯
4-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxobutanoic acid
Also Known As: Estrone 3-hemisuccinate, Rosuvastatin calcium, estrone hemisuccinate, 2-[(1-methylpropyl)dithio]-1H-imidazole, 4-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxobutanoic acid
| Molecular Formula | C22H26O5 |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.178 |
| Heavy Atoms | 27 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 58534-72-8 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CCC(=O)O |
| InChIKey | VSHNBNRUBKFQCR-UHFFFAOYSA-N |
Product Overview
雌酮半琥珀酸酯 (CAS 58534-72-8), with molecular formula C22H26O5 and molecular weight 370.18 g/mol. IUPAC: 4-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxobutanoic acid.
Chemical Property Profile of 雌酮半琥珀酸酯
Property Insights of 雌酮半琥珀酸酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 雌酮半琥珀酸酯. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 雌酮半琥珀酸酯. Following Lipinski's Rule of Five, Estrone 3-hemisuccinate has 1 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 Estrone 3-hemisuccinate?
The CAS number of Estrone 3-hemisuccinate is 58534-72-8.
What is the molecular formula of Estrone 3-hemisuccinate?
The molecular formula of Estrone 3-hemisuccinate is C22H26O5.
What is the molecular weight of Estrone 3-hemisuccinate?
The molecular weight of Estrone 3-hemisuccinate is 370.18 g/mol.
Where can I buy Estrone 3-hemisuccinate?
You can request a quote for Estrone 3-hemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrone 3-hemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for Estrone 3-hemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.