o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate
TL;DR: o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate (CAS 68397-92-2) is a chemical compound with molecular formula C21H25NO6 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-3-methoxyphenyl)methyl-(1-phenylpropan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: F 1672, 6-Methoxy-alpha-(alpha-methylphenethylamino)-o-cresol maleate, o-CRESOL, 6-METHOXY-alpha-(alpha-METHYLPHENETHYLAMINO)-, MALEATE, Phenol, 2-methoxy-6-(((1-methyl-2-phenylethyl)amino)methyl)-, (Z)-2-butenedioate (1:1), (2-hydroxy-3-methoxyphenyl)methyl-(1-phenylpropan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C21H25NO6 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 0.4725 |
| Topological Polar Surface Area | 123.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.16818 |
| Heavy Atoms | 28 |
| Complexity | 772.73773 |
Chemical Identifiers
| CAS Number | 68397-92-2 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)[NH2+]CC2=C(C(=CC=C2)OC)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate (CAS 68397-92-2), with molecular formula C21H25NO6 and molecular weight 387.17 g/mol. IUPAC: (2-hydroxy-3-methoxyphenyl)methyl-(1-phenylpropan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate
Property Insights of o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate
The XLogP value of 0.4725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate. The TPSA of 123.5 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate. Following Lipinski's Rule of Five, o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate has 3 hydrogen bond donor(s) and 5 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, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate?
The CAS number of o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate is 68397-92-2.
What is the molecular formula of o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate?
The molecular formula of o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate is C21H25NO6.
What is the molecular weight of o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate?
The molecular weight of o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate is 387.17 g/mol.
Where can I buy o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate?
You can request a quote for o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate?
Yes, KEHONG BIO provides custom synthesis services for o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.