tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate
TL;DR: tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate (CAS 496874-88-5) is a chemical compound with molecular formula C13H16BrNO4 and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate
Also Known As: tert-butyl methyl 2-bromophenylimidodicarbonate, AN-967/15488297, tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate, Imidodicarbonicacid, -,1,1-dimethylethylmethylester, Imidodicarbonic acid, (2-bromophenyl)-, 1,1-dimethylethyl methyl ester (9CI)
| Molecular Formula | C13H16BrNO4 |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 3.957 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.02628 |
| Heavy Atoms | 19 |
| Complexity | 481.7767 |
Chemical Identifiers
| CAS Number | 496874-88-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(C1=CC=CC=C1Br)C(=O)OC |
Product Overview
tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate (CAS 496874-88-5), with molecular formula C13H16BrNO4 and molecular weight 329.03 g/mol. IUPAC: tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate.
Chemical Property Profile of tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate
Property Insights of tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate
The XLogP value of 3.957 indicates that tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate has 0 hydrogen bond donor(s) and 4 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 tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate?
The CAS number of tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate is 496874-88-5.
What is the molecular formula of tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate?
The molecular formula of tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate is C13H16BrNO4.
What is the molecular weight of tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate?
The molecular weight of tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate is 329.03 g/mol.
Where can I buy tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate?
You can request a quote for tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(2-bromophenyl)-N-methoxycarbonylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.