RefChem:1081029
TL;DR: RefChem:1081029 (CAS 69782-44-1) is a chemical compound with molecular formula C22H32ClN3O2 and molecular weight 405.2183 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(dimethylamino)methyl]-4-phenyl-2-(phenylcarbamoyloxy)butyl]-dimethylazanium chloride
Also Known As: alpha,alpha-Di(dimethylaminomethyl)-gamma-phenylpropyl carbanilate hydrochloride, Carbanilic acid, 1,1-bis(dimethylaminomethyl)-3-phenylpropyl ester, hydrochloride, [2-(dimethylaminomethyl)-4-phenyl-2-(phenylcarbamoyloxy)butyl]-dimethylazanium chloride
Technical Specifications
| Molecular Formula | C22H32ClN3O2 |
| Molecular Weight | 405.2183 g/mol |
| XLogP | -0.68 |
| Topological Polar Surface Area (TPSA) | 46.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 405.2183 Da |
| Heavy Atoms | 28 |
| Complexity | 429.0 |
| SMILES | C[NH+](C)CC(CCC1=CC=CC=C1)(CN(C)C)OC(=O)NC2=CC=CC=C2.[Cl-] |
| InChIKey | GJGJFSCFCXOKAL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1081029
Property Insights of RefChem:1081029
The XLogP value of -0.68 indicates that RefChem:1081029 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.0 Ų, RefChem:1081029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081029 has 2 hydrogen bond donor(s) and 4 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:1081029?
The CAS number of RefChem:1081029 is 69782-44-1.
What is the molecular formula of RefChem:1081029?
The molecular formula of RefChem:1081029 is C22H32ClN3O2.
What is the molecular weight of RefChem:1081029?
The molecular weight of RefChem:1081029 is 405.2183 g/mol.
Where can I buy RefChem:1081029?
You can request a quote for RefChem:1081029 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1081029?
Yes, CoreyChem provides custom synthesis services for RefChem:1081029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.