p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate
TL;DR: p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate (CAS 68397-90-0) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-2-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: F 1693, alpha-(alpha,alpha-Dimethylphenethylamino)-3-methoxy-p-cresol maleate, p-CRESOL, alpha-(alpha,alpha-DIMETHYLPHENETHYLAMINO)-3-METHOXY-, MALEATE, Phenol, 4-(((1,1-dimethyl-2-phenylethyl)amino)methyl)-2-methoxy-, (Z)-2-butenedioate (1:1), (4-hydroxy-2-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 0.8626 |
| Topological Polar Surface Area | 123.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 814.45105 |
Chemical Identifiers
| CAS Number | 68397-90-0 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)[NH2+]CC2=C(C=C(C=C2)O)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate (CAS 68397-90-0), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: (4-hydroxy-2-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate
Property Insights of p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate
The XLogP value of 0.8626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate. The TPSA of 123.5 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate. Following Lipinski's Rule of Five, p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, 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 p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate?
The CAS number of p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate is 68397-90-0.
What is the molecular formula of p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate?
The molecular formula of p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate is C22H27NO6.
What is the molecular weight of p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate?
The molecular weight of p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate is 401.18 g/mol.
Where can I buy p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate?
You can request a quote for p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate?
Yes, KEHONG BIO provides custom synthesis services for p-Cresol, alpha-(alpha,alpha-dimethylphenethylamino)-3-methoxy-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.