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Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate
TL;DR: Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate (CAS 708244-53-5) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-tert-butylbenzoyl)amino]-2-methylbenzoate
Also Known As: methyl 3-(4-(tert-butyl)benzamido)-2-methylbenzoate, methyl 3-[(4-tert-butylbenzoyl)amino]-2-methylbenzoate, methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate, 3-[[4-(1,1-Dimethylethyl)benzoyl]amino]-2-methylbenzoic acid methyl ester
| Molecular Formula | C20H23NO3 |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 4.33142 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 755.4437 |
Chemical Identifiers
| CAS Number | 708244-53-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC |
Product Overview
Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate (CAS 708244-53-5), with molecular formula C20H23NO3 and molecular weight 325.17 g/mol. IUPAC: methyl 3-[(4-tert-butylbenzoyl)amino]-2-methylbenzoate.
Chemical Property Profile of Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate
Property Insights of Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate
The XLogP value of 4.33142 indicates that Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate has 1 hydrogen bond donor(s) and 3 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 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate?
The CAS number of Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate is 708244-53-5.
What is the molecular formula of Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate?
The molecular formula of Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate is C20H23NO3.
What is the molecular weight of Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate?
The molecular weight of Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate is 325.17 g/mol.
Where can I buy Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate?
You can request a quote for Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.