Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate
TL;DR: Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate (CAS 100719-44-6) is a chemical compound with molecular formula C14H17NO7 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(4-methoxyphenyl)-2-nitroethyl]propanedioate
Also Known As: Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate, dimethyl 2-[1-(4-methoxyphenyl)-2-nitroethyl]propanedioate, J2.084.009I, dimethyl [1-(4-methoxyphenyl)-2-nitroethyl]propanedioate, dimethyl [1-(4-methoxyphenyl)-2-nitroethyl]malonate
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 1.0177 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1005 |
| Heavy Atoms | 22 |
| Complexity | 524.62726 |
Chemical Identifiers
| CAS Number | 100719-44-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC |
Product Overview
Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate (CAS 100719-44-6), with molecular formula C14H17NO7 and molecular weight 311.10 g/mol. IUPAC: dimethyl 2-[1-(4-methoxyphenyl)-2-nitroethyl]propanedioate.
Chemical Property Profile of Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate
Property Insights of Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate
The XLogP value of 1.0177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate. Following Lipinski's Rule of Five, Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-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-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate?
The CAS number of Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate is 100719-44-6.
What is the molecular formula of Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate?
The molecular formula of Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate is C14H17NO7.
What is the molecular weight of Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate?
The molecular weight of Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate is 311.10 g/mol.
Where can I buy Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate?
You can request a quote for Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-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-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methoxycarbonyl-3-(4-methoxyphenyl)-4-nitrobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.