4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester
TL;DR: 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester (CAS 152628-01-8) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.10593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(butanoylamino)-3-methyl-5-nitrobenzoate
Also Known As: Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate, Telmisartan Impurity 5, Telmisartan Impurity 31, Telmisartan Impurity 34, methyl-4-(butyrylamino)-3-
Technical Specifications
| Molecular Formula | C13H16N2O5 |
| Molecular Weight | 280.10593 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.10593 Da |
| Heavy Atoms | 20 |
| Complexity | 379.0 |
| SMILES | CCCC(=O)NC1=C(C=C(C=C1C)C(=O)OC)[N+](=O)[O-] |
| InChIKey | IGCBUUTXGYCQAI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester
Property Insights of 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester. Following Lipinski's Rule of Five, 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester 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
What is the CAS number of 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester?
The CAS number of 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester is 152628-01-8.
What is the molecular formula of 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester?
The molecular formula of 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester is C13H16N2O5.
What is the molecular weight of 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester?
The molecular weight of 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester is 280.10593 g/mol.
Where can I buy 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester?
You can request a quote for 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.