RefChem:319169
TL;DR: RefChem:319169 (CAS 66902-71-4) is a chemical compound with molecular formula C23H27BrN2O2 and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[[2-(dimethylcarbamoyloxy)naphthalen-1-yl]methyl]-dimethylazanium bromide
Also Known As: Ro 2-1700, Benzyldimethyl(2-hydroxy-1-naphthyl)methylammonium bromide dimethylcarbamate (ester), Ammonium, benzyldimethyl(2-hydroxy-1-naphthyl)methyl-, bromide, dimethylcarbamate (ester), BENZYL-[[2-(DIMETHYLCARBAMOYLOXY)NAPHTHALEN-1-YL]METHYL]-DIMETHYLAZANIUMBROMIDE, benzyl-[[2-(dimethylcarbamoyloxy)naphthalen-1-yl]methyl]-dimethylazanium bromide
| Molecular Formula | C23H27BrN2O2 |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 1.68 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.12558 |
| Heavy Atoms | 28 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 66902-71-4 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)C[N+](C)(C)CC3=CC=CC=C3.[Br-] |
| InChIKey | UJLNTUMCCLPBFU-UHFFFAOYSA-M |
Product Overview
RefChem:319169 (CAS 66902-71-4), with molecular formula C23H27BrN2O2 and molecular weight 442.13 g/mol. IUPAC: benzyl-[[2-(dimethylcarbamoyloxy)naphthalen-1-yl]methyl]-dimethylazanium bromide.
Chemical Property Profile of RefChem:319169
Property Insights of RefChem:319169
The XLogP value of 1.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319169. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:319169 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319169 has 0 hydrogen bond donor(s) and 3 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 RefChem:319169?
The CAS number of RefChem:319169 is 66902-71-4.
What is the molecular formula of RefChem:319169?
The molecular formula of RefChem:319169 is C23H27BrN2O2.
What is the molecular weight of RefChem:319169?
The molecular weight of RefChem:319169 is 442.13 g/mol.
Where can I buy RefChem:319169?
You can request a quote for RefChem:319169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319169?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.