C16H19NO2.BrH.1/2H2O
TL;DR: C16H19NO2.BrH.1/2H2O (CAS 87203-74-5) is a chemical compound with molecular formula C16H20BrNO2 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(methylamino)-2-(4-methylphenyl)ethyl]benzene-1,2-diol;hydrobromide
Also Known As: C16H19NO2.BrH.1/2H2O, C16-H19-N-O2.Br-H.1/2H2-O, N-Methyl-2-(3,4-dihydroxyphenyl)-1-(4-tolyl)ethylamine hydrobromide hemihydrate, 4-(2-(Methylamino)-2-(4-methylphenyl)ethyl)-1,2-benzenediol hydrobromide hydrate (2:2:1), 1,2-Benzenediol, 4-(2-(methylamino)-2-(4-methylphenyl)ethyl)-, hydrobromide, hydrate (2:2:1)
| Molecular Formula | C16H20BrNO2 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 3.48732 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.06775 |
| Heavy Atoms | 20 |
| Complexity | 554.9034 |
Chemical Identifiers
| CAS Number | 87203-74-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)NC.Br |
Product Overview
C16H19NO2.BrH.1/2H2O (CAS 87203-74-5), with molecular formula C16H20BrNO2 and molecular weight 337.07 g/mol. IUPAC: 4-[2-(methylamino)-2-(4-methylphenyl)ethyl]benzene-1,2-diol;hydrobromide.
Chemical Property Profile of C16H19NO2.BrH.1/2H2O
Property Insights of C16H19NO2.BrH.1/2H2O
The XLogP value of 3.48732 indicates that C16H19NO2.BrH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.49 Ų, C16H19NO2.BrH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H19NO2.BrH.1/2H2O has 3 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 C16H19NO2.BrH.1/2H2O?
The CAS number of C16H19NO2.BrH.1/2H2O is 87203-74-5.
What is the molecular formula of C16H19NO2.BrH.1/2H2O?
The molecular formula of C16H19NO2.BrH.1/2H2O is C16H20BrNO2.
What is the molecular weight of C16H19NO2.BrH.1/2H2O?
The molecular weight of C16H19NO2.BrH.1/2H2O is 337.07 g/mol.
Where can I buy C16H19NO2.BrH.1/2H2O?
You can request a quote for C16H19NO2.BrH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H19NO2.BrH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C16H19NO2.BrH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.