![Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate structure](/static/products/5019/501938-94-9.webp)
Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate
TL;DR: Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate (CAS 501938-94-9) is a chemical compound with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate
Also Known As: methyl 2-({4-[2-(methoxycarbonyl)anilino]-4-oxobutanoyl}amino)benzoate, methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate, dimethyl 2,2'-[(1,4-dioxobutane-1,4-diyl)diimino]dibenzoate, methyl 2-(3-{N-[2-(methoxycarbonyl)phenyl]carbamoyl}propanoylamino)benzoate, benzoic acid, 2,2'-[(1,4-dioxo-1,4-butanediyl)diimino]bis-, dimethyl ester
| Molecular Formula | C20H20N2O6 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.13214 |
| Heavy Atoms | 28 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 501938-94-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CCC(=O)NC2=CC=CC=C2C(=O)OC |
| InChIKey | RKKKUPADLXJSHK-UHFFFAOYSA-N |
Product Overview
Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate (CAS 501938-94-9), with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol. IUPAC: methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate.
Chemical Property Profile of Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate
Property Insights of Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate has 2 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 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate?
The CAS number of Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate is 501938-94-9.
What is the molecular formula of Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate?
The molecular formula of Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate is C20H20N2O6.
What is the molecular weight of Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate?
The molecular weight of Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate is 384.13 g/mol.
Where can I buy Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate?
You can request a quote for Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[4-(2-methoxycarbonylanilino)-4-oxobutanoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.