Nimodipine Impurity 38
TL;DR: Nimodipine Impurity 38 (CAS 85677-92-5) is a chemical compound with molecular formula C14H15NO6 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
Also Known As: Nimodipine Impurity 38, Nimodipine Impurity 46, 2-METHOXYETHYL 2-(3-NITROBENZYLIDENE)ACETOACETATE, 2-Methoxyethyl-2-(3-Nitrobenzylidene) Acetoacetate, 2-methoxyethyl (Z)-2-(3-nitrobenzylidene)-3-oxobutanoate
| Molecular Formula | C14H15NO6 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 1.7568 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.08994 |
| Heavy Atoms | 21 |
| Complexity | 578.5819 |
Chemical Identifiers
| CAS Number | 85677-92-5 |
|---|---|
| SMILES | CC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCOC |
Product Overview
Nimodipine Impurity 38 (CAS 85677-92-5), with molecular formula C14H15NO6 and molecular weight 293.09 g/mol. IUPAC: 2-methoxyethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate.
Chemical Property Profile of Nimodipine Impurity 38
Property Insights of Nimodipine Impurity 38
The XLogP value of 1.7568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nimodipine Impurity 38. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Nimodipine Impurity 38. Following Lipinski's Rule of Five, Nimodipine Impurity 38 has 0 hydrogen bond donor(s) and 6 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 Nimodipine Impurity 38?
The CAS number of Nimodipine Impurity 38 is 85677-92-5.
What is the molecular formula of Nimodipine Impurity 38?
The molecular formula of Nimodipine Impurity 38 is C14H15NO6.
What is the molecular weight of Nimodipine Impurity 38?
The molecular weight of Nimodipine Impurity 38 is 293.09 g/mol.
Where can I buy Nimodipine Impurity 38?
You can request a quote for Nimodipine Impurity 38 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nimodipine Impurity 38?
Yes, KEHONG BIO provides custom synthesis services for Nimodipine Impurity 38 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.