benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate
TL;DR: benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate (CAS 19401-63-9) is a chemical compound with molecular formula C18H18BrNO3 and molecular weight 375.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate
Also Known As: benzyl(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate, benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate
| Molecular Formula | C18H18BrNO3 |
|---|---|
| Molecular Weight | 375.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.047 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 19401-63-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)CBr)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | FHRKXYPIFJTDJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate (CAS 19401-63-9), with molecular formula C18H18BrNO3 and molecular weight 375.05 g/mol. IUPAC: benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate.
Chemical Property Profile of benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate
Property Insights of benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate
The XLogP value of 4.0 indicates that benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate has 1 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 benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate?
The CAS number of benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate is 19401-63-9.
What is the molecular formula of benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate?
The molecular formula of benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate is C18H18BrNO3.
What is the molecular weight of benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate?
The molecular weight of benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate is 375.05 g/mol.
Where can I buy benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate?
You can request a quote for benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-(4-bromo-3-oxo-1-phenylbutan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.