2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol
TL;DR: 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol (CAS 763133-29-5) is a chemical compound with molecular formula C14H13BrClNO and molecular weight 324.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromo-3-methylanilino)methyl]-4-chlorophenol
Also Known As: 2-{[(4-bromo-3-methylphenyl)amino]methyl}-4-chlorophenol, 2-[(4-bromo-3-methylanilino)methyl]-4-chlorobenzenol, 2-[(4-bromo-3-methylanilino)methyl]-4-chlorophenol, 2-(((4-Bromo-3-methylphenyl)amino)methyl)-4-chlorophenol, 2-((4-BROMO-3-METHYLANILINO)METHYL)-4-CHLOROPHENOL
| Molecular Formula | C14H13BrClNO |
|---|---|
| Molecular Weight | 324.99 g/mol |
| LogP | 4.72862 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.9869 |
| Heavy Atoms | 18 |
| Complexity | 571.7156 |
Chemical Identifiers
| CAS Number | 763133-29-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NCC2=C(C=CC(=C2)Cl)O)Br |
Product Overview
2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol (CAS 763133-29-5), with molecular formula C14H13BrClNO and molecular weight 324.99 g/mol. IUPAC: 2-[(4-bromo-3-methylanilino)methyl]-4-chlorophenol.
Chemical Property Profile of 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol
Property Insights of 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol
The XLogP value of 4.72862 indicates that 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol has 2 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 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol?
The CAS number of 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol is 763133-29-5.
What is the molecular formula of 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol?
The molecular formula of 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol is C14H13BrClNO.
What is the molecular weight of 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol?
The molecular weight of 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol is 324.99 g/mol.
Where can I buy 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol?
You can request a quote for 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromo-3-methylanilino)methyl)-4-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.