1-Methyl-11-oxoestrone
TL;DR: 1-Methyl-11-oxoestrone (CAS 55675-67-7) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] 2,2-dimethylpropanoate
Also Known As: 1-Methyl-11-oxoestrone, 5-Pivaloyloxy-5-(1-phenylethyl)barbituric acid, 5-pivaloyloxy-5-(1-phenylethyl) barbituric acid, Hexahydro-2,4,6-trioxo-5-(1-phenylethyl)-5-pyrimidinyl 2,2-dimethylpropanoate, Propanoic acid, 2,2-dimethyl-, hexahydro-2,4,6-trioxo-5-(1-phenylethyl)-5-pyrimidinyl ester
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 1.4842 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 670.6825 |
Chemical Identifiers
| CAS Number | 55675-67-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C2(C(=O)NC(=O)NC2=O)OC(=O)C(C)(C)C |
Product Overview
1-Methyl-11-oxoestrone (CAS 55675-67-7), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: [2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of 1-Methyl-11-oxoestrone
Property Insights of 1-Methyl-11-oxoestrone
The XLogP value of 1.4842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-11-oxoestrone. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-11-oxoestrone. Following Lipinski's Rule of Five, 1-Methyl-11-oxoestrone 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 1-Methyl-11-oxoestrone?
The CAS number of 1-Methyl-11-oxoestrone is 55675-67-7.
What is the molecular formula of 1-Methyl-11-oxoestrone?
The molecular formula of 1-Methyl-11-oxoestrone is C17H20N2O5.
What is the molecular weight of 1-Methyl-11-oxoestrone?
The molecular weight of 1-Methyl-11-oxoestrone is 332.14 g/mol.
Where can I buy 1-Methyl-11-oxoestrone?
You can request a quote for 1-Methyl-11-oxoestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-11-oxoestrone?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-11-oxoestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.