o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride
TL;DR: o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride (CAS 68398-07-2) is a chemical compound with molecular formula C16H19BrClNO2 and molecular weight 371.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-2-hydroxy-3-methoxyphenyl)methyl-(2-phenylethyl)azanium chloride
Also Known As: F 1696, 4-Bromo-6-methoxy-alpha-(phenethylamino)-o-cresol hydrochloride, o-CRESOL, 4-BROMO-6-METHOXY-alpha-(PHENETHYLAMINO)-, HYDROCHLORIDE, Phenol, 4-bromo-2-methoxy-6-(((2-phenylethyl)amino)methyl)-, hydrochloride, (5-Bromo-2-hydroxy-3-methoxyphenyl)methyl-(2-phenylethyl)azaniumchloride
| Molecular Formula | C16H19BrClNO2 |
|---|---|
| Molecular Weight | 371.03 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 46.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.02878 |
| Heavy Atoms | 21 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 68398-07-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)C[NH2+]CCC2=CC=CC=C2)Br.[Cl-] |
| InChIKey | BBNPJDZYBKTEFQ-UHFFFAOYSA-N |
Product Overview
o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride (CAS 68398-07-2), with molecular formula C16H19BrClNO2 and molecular weight 371.03 g/mol. IUPAC: (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-(2-phenylethyl)azanium chloride.
Chemical Property Profile of o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride
Property Insights of o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride
The XLogP value of -0.53 indicates that o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.1 Ų, o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride has 2 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 o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride?
The CAS number of o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride is 68398-07-2.
What is the molecular formula of o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride?
The molecular formula of o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride is C16H19BrClNO2.
What is the molecular weight of o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride?
The molecular weight of o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride is 371.03 g/mol.
Where can I buy o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride?
You can request a quote for o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.