Methyl 3-amino-4-tert-butyl-5-nitrobenzoate
TL;DR: Methyl 3-amino-4-tert-butyl-5-nitrobenzoate (CAS 200630-85-9) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-tert-butyl-5-nitrobenzoate
Also Known As: methyl 3-amino-4-tert-butyl-5-nitrobenzoate, Methyl 3-amino-5-nitro-4-tert-butyl-benzoate
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 2.2611 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 503.53424 |
Chemical Identifiers
| CAS Number | 200630-85-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC)N |
Product Overview
Methyl 3-amino-4-tert-butyl-5-nitrobenzoate (CAS 200630-85-9), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: methyl 3-amino-4-tert-butyl-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-amino-4-tert-butyl-5-nitrobenzoate
Property Insights of Methyl 3-amino-4-tert-butyl-5-nitrobenzoate
The XLogP value of 2.2611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4-tert-butyl-5-nitrobenzoate. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-4-tert-butyl-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-amino-4-tert-butyl-5-nitrobenzoate has 1 hydrogen bond donor(s) and 5 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-amino-4-tert-butyl-5-nitrobenzoate?
The CAS number of Methyl 3-amino-4-tert-butyl-5-nitrobenzoate is 200630-85-9.
What is the molecular formula of Methyl 3-amino-4-tert-butyl-5-nitrobenzoate?
The molecular formula of Methyl 3-amino-4-tert-butyl-5-nitrobenzoate is C12H16N2O4.
What is the molecular weight of Methyl 3-amino-4-tert-butyl-5-nitrobenzoate?
The molecular weight of Methyl 3-amino-4-tert-butyl-5-nitrobenzoate is 252.11 g/mol.
Where can I buy Methyl 3-amino-4-tert-butyl-5-nitrobenzoate?
You can request a quote for Methyl 3-amino-4-tert-butyl-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-4-tert-butyl-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-tert-butyl-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.