Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate
TL;DR: Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate (CAS 306325-59-7) is a chemical compound with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate
Also Known As: CBKinase1_000733, CBKinase1_013133, methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate, methyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate, AB00083366-01
| Molecular Formula | C12H14N2O6 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.08517 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 306325-59-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)OC |
| InChIKey | QFDPDZYOLBAGEN-UHFFFAOYSA-N |
Product Overview
Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate (CAS 306325-59-7), with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol. IUPAC: methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate
Property Insights of Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate has 1 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 Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate?
The CAS number of Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate is 306325-59-7.
What is the molecular formula of Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate?
The molecular formula of Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate is C12H14N2O6.
What is the molecular weight of Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate?
The molecular weight of Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate is 282.09 g/mol.
Where can I buy Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate?
You can request a quote for Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.