RefChem:1081026
TL;DR: RefChem:1081026 (CAS 67195-98-6) is a chemical compound with molecular formula C20H27ClN2O2 and molecular weight 362.17612 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[2-methyl-4-phenyl-2-(phenylcarbamoyloxy)butyl]azanium chloride
Also Known As: alpha-Methyl-alpha-dimethylaminomethyl-gamma-phenylpropyl carbanilate hydrochloride, Carbanilic acid, (2-(dimethylamino)-1-methyl-1-phenethyl)ethyl ester, hydrochloride, dimethyl-[2-methyl-4-phenyl-2-(phenylcarbamoyloxy)butyl]azanium chloride, Benzenepropanol, .alpha.-[(dimethylamino)methyl]-.alpha.-methyl-, phenylcarbamate (ester), monohydrochloride
Technical Specifications
| Molecular Formula | C20H27ClN2O2 |
| Molecular Weight | 362.17612 g/mol |
| XLogP | -0.22 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.17612 Da |
| Heavy Atoms | 25 |
| Complexity | 374.0 |
| SMILES | CC(CCC1=CC=CC=C1)(C[NH+](C)C)OC(=O)NC2=CC=CC=C2.[Cl-] |
| InChIKey | SQKRJFKVQGTDMP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1081026
Property Insights of RefChem:1081026
The XLogP value of -0.22 indicates that RefChem:1081026 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1081026 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081026 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
What is the CAS number of RefChem:1081026?
The CAS number of RefChem:1081026 is 67195-98-6.
What is the molecular formula of RefChem:1081026?
The molecular formula of RefChem:1081026 is C20H27ClN2O2.
What is the molecular weight of RefChem:1081026?
The molecular weight of RefChem:1081026 is 362.17612 g/mol.
Where can I buy RefChem:1081026?
You can request a quote for RefChem:1081026 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1081026?
Yes, CoreyChem provides custom synthesis services for RefChem:1081026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.