Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate
TL;DR: Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate (CAS 117358-91-5) is a chemical compound with molecular formula C15H19NO7 and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate
Also Known As: methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate, A4080/0173909
| Molecular Formula | C15H19NO7 |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | 1.4423 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.11615 |
| Heavy Atoms | 23 |
| Complexity | 599.4882 |
Chemical Identifiers
| CAS Number | 117358-91-5 |
|---|---|
| SMILES | CC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)OC)C(=O)OC |
Product Overview
Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate (CAS 117358-91-5), with molecular formula C15H19NO7 and molecular weight 325.12 g/mol. IUPAC: methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate.
Chemical Property Profile of Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate
Property Insights of Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate
The XLogP value of 1.4423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate. Following Lipinski's Rule of Five, Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate has 0 hydrogen bond donor(s) and 7 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 Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate?
The CAS number of Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate is 117358-91-5.
What is the molecular formula of Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate?
The molecular formula of Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate is C15H19NO7.
What is the molecular weight of Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate?
The molecular weight of Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate is 325.12 g/mol.
Where can I buy Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate?
You can request a quote for Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.