Propan-2-yl (4-bromophenyl)carbamate
TL;DR: Propan-2-yl (4-bromophenyl)carbamate (CAS 40427-42-7) is a chemical compound with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-(4-bromophenyl)carbamate
Also Known As: Isopropyl (4-bromophenyl)carbamate, propan-2-yl N-(4-bromophenyl)carbamate, isopropyl 4-bromophenylcarbamate, propan-2-yl (4-bromophenyl)carbamate, Carbamic acid, 4-bromophenyl, 1-methylethyl ester
| Molecular Formula | C10H12BrNO2 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.00513 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 40427-42-7 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC=C(C=C1)Br |
| InChIKey | MGPOTYUNIPGUIA-UHFFFAOYSA-N |
Product Overview
Propan-2-yl (4-bromophenyl)carbamate (CAS 40427-42-7), with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol. IUPAC: propan-2-yl N-(4-bromophenyl)carbamate.
Chemical Property Profile of Propan-2-yl (4-bromophenyl)carbamate
Property Insights of Propan-2-yl (4-bromophenyl)carbamate
The XLogP value of 3.3 indicates that Propan-2-yl (4-bromophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Propan-2-yl (4-bromophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl (4-bromophenyl)carbamate 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 Propan-2-yl (4-bromophenyl)carbamate?
The CAS number of Propan-2-yl (4-bromophenyl)carbamate is 40427-42-7.
What is the molecular formula of Propan-2-yl (4-bromophenyl)carbamate?
The molecular formula of Propan-2-yl (4-bromophenyl)carbamate is C10H12BrNO2.
What is the molecular weight of Propan-2-yl (4-bromophenyl)carbamate?
The molecular weight of Propan-2-yl (4-bromophenyl)carbamate is 257.01 g/mol.
Where can I buy Propan-2-yl (4-bromophenyl)carbamate?
You can request a quote for Propan-2-yl (4-bromophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl (4-bromophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl (4-bromophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.