4-Bromo-2-methoxy-N-Boc-aniline
TL;DR: 4-Bromo-2-methoxy-N-Boc-aniline (CAS 262433-01-2) is a chemical compound with molecular formula C12H16BrNO3 and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate
Also Known As: 4-Bromo-2-methoxy-N-Boc-aniline, tert-butyl (4-bromo-2-methoxyphenyl)carbamate, tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate, N-Boc-4-bromo-2-methoxyaniline, Carbamic acid, (4-bromo-2-methoxyphenyl)-, 1,1-dimethylethyl ester (9CI)
| Molecular Formula | C12H16BrNO3 |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 3.8047 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.03137 |
| Heavy Atoms | 17 |
| Complexity | 412.70203 |
Chemical Identifiers
| CAS Number | 262433-01-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)OC |
Product Overview
4-Bromo-2-methoxy-N-Boc-aniline (CAS 262433-01-2), with molecular formula C12H16BrNO3 and molecular weight 301.03 g/mol. IUPAC: tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate.
Chemical Property Profile of 4-Bromo-2-methoxy-N-Boc-aniline
Property Insights of 4-Bromo-2-methoxy-N-Boc-aniline
The XLogP value of 3.8047 indicates that 4-Bromo-2-methoxy-N-Boc-aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 4-Bromo-2-methoxy-N-Boc-aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-methoxy-N-Boc-aniline 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 4-Bromo-2-methoxy-N-Boc-aniline?
The CAS number of 4-Bromo-2-methoxy-N-Boc-aniline is 262433-01-2.
What is the molecular formula of 4-Bromo-2-methoxy-N-Boc-aniline?
The molecular formula of 4-Bromo-2-methoxy-N-Boc-aniline is C12H16BrNO3.
What is the molecular weight of 4-Bromo-2-methoxy-N-Boc-aniline?
The molecular weight of 4-Bromo-2-methoxy-N-Boc-aniline is 301.03 g/mol.
Where can I buy 4-Bromo-2-methoxy-N-Boc-aniline?
You can request a quote for 4-Bromo-2-methoxy-N-Boc-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-methoxy-N-Boc-aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-methoxy-N-Boc-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.