(3-溴丙基)氨基甲酸苄酯
TL;DR: (3-溴丙基)氨基甲酸苄酯 (CAS 39945-54-5) is a chemical compound with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-溴丙基)氨基甲酸苄酯
benzyl N-(2-bromopropyl)carbamate
Also Known As: Benzyl (3-bromopropyl)carbamate, benzyl N-(2-bromopropyl)carbamate, (3-Bromopropyl)carbamic acid benzyl ester, benzyl N-(3-bromopropyl)carbamate, Carbamic acid, (3-bromopropyl)-, benzyl ester
| Molecular Formula | C11H14BrNO2 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.02078 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 39945-54-5 |
|---|---|
| SMILES | CC(CNC(=O)OCC1=CC=CC=C1)Br |
| InChIKey | LUAZASQNAMTWAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-溴丙基)氨基甲酸苄酯 (CAS 39945-54-5), with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol. IUPAC: benzyl N-(2-bromopropyl)carbamate.
Chemical Property Profile of (3-溴丙基)氨基甲酸苄酯
Property Insights of (3-溴丙基)氨基甲酸苄酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-溴丙基)氨基甲酸苄酯. With a topological polar surface area (TPSA) of 38.3 Ų, (3-溴丙基)氨基甲酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-溴丙基)氨基甲酸苄酯 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 (3-溴丙基)氨基甲酸苄酯?
The CAS number of (3-溴丙基)氨基甲酸苄酯 is 39945-54-5.
What is the molecular formula of (3-溴丙基)氨基甲酸苄酯?
The molecular formula of (3-溴丙基)氨基甲酸苄酯 is C11H14BrNO2.
What is the molecular weight of (3-溴丙基)氨基甲酸苄酯?
The molecular weight of (3-溴丙基)氨基甲酸苄酯 is 271.02 g/mol.
Where can I buy (3-溴丙基)氨基甲酸苄酯?
You can request a quote for (3-溴丙基)氨基甲酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-溴丙基)氨基甲酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for (3-溴丙基)氨基甲酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.