Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester
TL;DR: Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester (CAS 122277-22-9) is a chemical compound with molecular formula C10H10BrNO4 and molecular weight 286.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-2-carbamoyloxybenzoate
Also Known As: ethyl 5-bromo-2-carbamoyloxybenzoate, Ethyl 2-((aminocarbonyl)oxy)-5-bromobenzoate, Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester, ETHYL 5-BROMO-2-(CARBAMOYLOXY)BENZOATE, Benzoic acid,2-[(aminocarbonyl)oxy]-5-bromo-, ethyl ester
| Molecular Formula | C10H10BrNO4 |
|---|---|
| Molecular Weight | 286.98 g/mol |
| LogP | 2.0833 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.9793 |
| Heavy Atoms | 16 |
| Complexity | 419.2801 |
Chemical Identifiers
| CAS Number | 122277-22-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)Br)OC(=O)N |
Product Overview
Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester (CAS 122277-22-9), with molecular formula C10H10BrNO4 and molecular weight 286.98 g/mol. IUPAC: ethyl 5-bromo-2-carbamoyloxybenzoate.
Chemical Property Profile of Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester
Property Insights of Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester
The XLogP value of 2.0833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester?
The CAS number of Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester is 122277-22-9.
What is the molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester?
The molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester is C10H10BrNO4.
What is the molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester?
The molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester is 286.98 g/mol.
Where can I buy Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester?
You can request a quote for Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.