Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)
TL;DR: Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1) (CAS 4189-78-0) is a chemical compound with molecular formula C21H27NO5 and molecular weight 373.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-methyl-1-(4-methylphenyl)-1-phenylpropan-1-ol;oxalic acid
Also Known As: 1-Propanol, 3-dimethylamino-2-methyl-1-phenyl-1-p-tolyl-, oxalate, Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1), alpha-(2-(Dimethylamino)-1-methylethyl)-4-methyl-benzhydrol oxalate, 3-(dimethylamino)-2-methyl-1-(4-methylphenyl)-1-phenylpropan-1-ol; oxalic acid, Oxalic acid--3-(dimethylamino)-2-methyl-1-(4-methylphenyl)-1-phenylpropan-1-ol (1/1)
| Molecular Formula | C21H27NO5 |
|---|---|
| Molecular Weight | 373.19 g/mol |
| LogP | 2.58422 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.18893 |
| Heavy Atoms | 27 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 4189-78-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C)CN(C)C)O.C(=O)(C(=O)O)O |
| InChIKey | UQPHDCVFCJSWPC-UHFFFAOYSA-N |
Product Overview
Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1) (CAS 4189-78-0), with molecular formula C21H27NO5 and molecular weight 373.19 g/mol. IUPAC: 3-(dimethylamino)-2-methyl-1-(4-methylphenyl)-1-phenylpropan-1-ol;oxalic acid.
Chemical Property Profile of Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)
Property Insights of Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)
The XLogP value of 2.58422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1). The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1). Following Lipinski's Rule of Five, Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1) has 3 hydrogen bond donor(s) and 6 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 Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)?
The CAS number of Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1) is 4189-78-0.
What is the molecular formula of Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)?
The molecular formula of Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1) is C21H27NO5.
What is the molecular weight of Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)?
The molecular weight of Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1) is 373.19 g/mol.
Where can I buy Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)?
You can request a quote for Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.