Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate
TL;DR: Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate (CAS 84946-13-4) is a chemical compound with molecular formula C12H15BrN2O3 and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-(2-bromoethylcarbamoyl)phenyl]carbamate
Also Known As: EINECS 284-616-7, Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate, ethyl N-[2-(2-bromoethylcarbamoyl)phenyl]carbamate, Ethyl {2-[(2-bromoethyl)carbamoyl]phenyl}carbamate, ETHYL [2-[(2-BROMOETHYL)AMINOCARBONYL]PHENYL]CARBAMATE
| Molecular Formula | C12H15BrN2O3 |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 2.3797 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0266 |
| Heavy Atoms | 18 |
| Complexity | 423.53848 |
Chemical Identifiers
| CAS Number | 84946-13-4 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=CC=C1C(=O)NCCBr |
Product Overview
Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate (CAS 84946-13-4), with molecular formula C12H15BrN2O3 and molecular weight 314.03 g/mol. IUPAC: ethyl N-[2-(2-bromoethylcarbamoyl)phenyl]carbamate.
Chemical Property Profile of Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate
Property Insights of Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate
The XLogP value of 2.3797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate. Following Lipinski's Rule of Five, Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate has 2 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 Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate?
The CAS number of Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate is 84946-13-4.
What is the molecular formula of Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate?
The molecular formula of Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate is C12H15BrN2O3.
What is the molecular weight of Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate?
The molecular weight of Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate is 314.03 g/mol.
Where can I buy Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate?
You can request a quote for Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.