2-Methylphenyl (3-bromopropanoyl)carbamate
TL;DR: 2-Methylphenyl (3-bromopropanoyl)carbamate (CAS 674340-05-7) is a chemical compound with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) N-(3-bromopropanoyl)carbamate
Also Known As: Probes1_000238, Probes2_000279, o-tolyl (3-bromopropanoyl)carbamate, 2-methylphenyl (3-bromopropanoyl)carbamate, (2-methylphenyl) N-(3-bromopropanoyl)carbamate
| Molecular Formula | C11H12BrNO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 2.39502 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.00006 |
| Heavy Atoms | 16 |
| Complexity | 392.57098 |
Chemical Identifiers
| CAS Number | 674340-05-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)NC(=O)CCBr |
Product Overview
2-Methylphenyl (3-bromopropanoyl)carbamate (CAS 674340-05-7), with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol. IUPAC: (2-methylphenyl) N-(3-bromopropanoyl)carbamate.
Chemical Property Profile of 2-Methylphenyl (3-bromopropanoyl)carbamate
Property Insights of 2-Methylphenyl (3-bromopropanoyl)carbamate
The XLogP value of 2.39502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylphenyl (3-bromopropanoyl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Methylphenyl (3-bromopropanoyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylphenyl (3-bromopropanoyl)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 2-Methylphenyl (3-bromopropanoyl)carbamate?
The CAS number of 2-Methylphenyl (3-bromopropanoyl)carbamate is 674340-05-7.
What is the molecular formula of 2-Methylphenyl (3-bromopropanoyl)carbamate?
The molecular formula of 2-Methylphenyl (3-bromopropanoyl)carbamate is C11H12BrNO3.
What is the molecular weight of 2-Methylphenyl (3-bromopropanoyl)carbamate?
The molecular weight of 2-Methylphenyl (3-bromopropanoyl)carbamate is 285.00 g/mol.
Where can I buy 2-Methylphenyl (3-bromopropanoyl)carbamate?
You can request a quote for 2-Methylphenyl (3-bromopropanoyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylphenyl (3-bromopropanoyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylphenyl (3-bromopropanoyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.