Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester
TL;DR: Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester (CAS 122277-24-1) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl 2-carbamoyloxy-5-methylbenzoate
Also Known As: Phenyl 2-((aminocarbonyl)oxy)-5-methylbenzoate, Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester, phenyl 2-carbamoyloxy-5-methylbenzoate, PHENYL 2-(CARBAMOYLOXY)-5-METHYLBENZOATE, BRN 5964620
Technical Specifications
| Molecular Formula | C15H13NO4 |
| Molecular Weight | 271.08447 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08447 Da |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| SMILES | CC1=CC(=C(C=C1)OC(=O)N)C(=O)OC2=CC=CC=C2 |
| InChIKey | UTPCTWMCEYVCFX-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester
Property Insights of Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester?
The CAS number of Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester is 122277-24-1.
What is the molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester?
The molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester is C15H13NO4.
What is the molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester?
The molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester is 271.08447 g/mol.
Where can I buy Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester?
You can request a quote for Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.