2-溴乙基氨基甲酸-1-萘酯
TL;DR: 2-溴乙基氨基甲酸-1-萘酯 (CAS 101491-56-9) is a chemical compound with molecular formula C13H12BrNO2 and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴乙基氨基甲酸-1-萘酯
naphthalen-1-yl N-(2-bromoethyl)carbamate
Also Known As: 2-Bromoethylcarbamic acid 1-naphthyl ester, CARBAMIC ACID, 2-BROMOETHYL-, 1-NAPHTHYL ESTER, 2-Bromoethylcarbamic acid, ester with 1-naphthol, naphthalen-1-yl N-(2-bromoethyl)carbamate, naphthalen-1-yl(2-bromoethyl)carbamate
| Molecular Formula | C13H12BrNO2 |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.00513 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 101491-56-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OC(=O)NCCBr |
| InChIKey | XTJDKCYMFPVPPZ-UHFFFAOYSA-N |
Product Overview
2-溴乙基氨基甲酸-1-萘酯 (CAS 101491-56-9), with molecular formula C13H12BrNO2 and molecular weight 293.01 g/mol. IUPAC: naphthalen-1-yl N-(2-bromoethyl)carbamate.
Chemical Property Profile of 2-溴乙基氨基甲酸-1-萘酯
Property Insights of 2-溴乙基氨基甲酸-1-萘酯
The XLogP value of 3.1 indicates that 2-溴乙基氨基甲酸-1-萘酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-溴乙基氨基甲酸-1-萘酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-溴乙基氨基甲酸-1-萘酯 has 1 hydrogen bond donor(s) and 2 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 2-溴乙基氨基甲酸-1-萘酯?
The CAS number of 2-溴乙基氨基甲酸-1-萘酯 is 101491-56-9.
What is the molecular formula of 2-溴乙基氨基甲酸-1-萘酯?
The molecular formula of 2-溴乙基氨基甲酸-1-萘酯 is C13H12BrNO2.
What is the molecular weight of 2-溴乙基氨基甲酸-1-萘酯?
The molecular weight of 2-溴乙基氨基甲酸-1-萘酯 is 293.01 g/mol.
Where can I buy 2-溴乙基氨基甲酸-1-萘酯?
You can request a quote for 2-溴乙基氨基甲酸-1-萘酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴乙基氨基甲酸-1-萘酯?
Yes, KEHONG BIO provides custom synthesis services for 2-溴乙基氨基甲酸-1-萘酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.