RefChem:1080886
TL;DR: RefChem:1080886 (CAS 67049-81-4) is a chemical compound with molecular formula C17H23Cl2N3O2 and molecular weight 371.11673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[[3-(dimethylcarbamoyloxy)pyridin-1-ium-2-yl]methyl]-methylazanium dichloride
Also Known As: Ro 2-2255, Carbamic acid, dimethyl-, (2-((N-benzyl-N-methylamino)methyl)-3-pyridyl) ester, dihydrochloride, benzyl-[[3-(dimethylcarbamoyloxy)pyridin-1-ium-2-yl]methyl]-methylazanium dichloride, CARBAMIC ACID, DIMETHYL-, (2-((N-BENZYL-N-METHYLAMINO)METHYL)-3-PYRIDYL) ESTER,, Carbamic acid, dimethyl-, 2-[[methyl(phenylmethyl)amino]methyl]-3-pyridinyl ester, dihydrochloride
Technical Specifications
| Molecular Formula | C17H23Cl2N3O2 |
| Molecular Weight | 371.11673 g/mol |
| XLogP | -5.22 |
| Topological Polar Surface Area (TPSA) | 48.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.11673 Da |
| Heavy Atoms | 24 |
| Complexity | 343.0 |
| SMILES | C[NH+](CC1=CC=CC=C1)CC2=C(C=CC=[NH+]2)OC(=O)N(C)C.[Cl-].[Cl-] |
| InChIKey | BJNNZDVOYCSNIH-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1080886
Property Insights of RefChem:1080886
The XLogP value of -5.22 indicates that RefChem:1080886 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.1 Ų, RefChem:1080886 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080886 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:1080886?
The CAS number of RefChem:1080886 is 67049-81-4.
What is the molecular formula of RefChem:1080886?
The molecular formula of RefChem:1080886 is C17H23Cl2N3O2.
What is the molecular weight of RefChem:1080886?
The molecular weight of RefChem:1080886 is 371.11673 g/mol.
Where can I buy RefChem:1080886?
You can request a quote for RefChem:1080886 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1080886?
Yes, CoreyChem provides custom synthesis services for RefChem:1080886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.