RefChem:318791
TL;DR: RefChem:318791 (CAS 66967-83-7) is a chemical compound with molecular formula C17H23BrN2O2 and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylcarbamoyloxy)naphthalen-1-yl]methyl-trimethylazanium bromide
Also Known As: Ro 2-0767, (2-Hydroxy-1-naphthylmethyl)trimethylammonium bromide dimethylcarbamate (ester), [2-(dimethylcarbamoyloxy)naphthalen-1-yl]methyl-trimethylazanium bromide, Ammonium, (2-hydroxy-1-naphthylmethyl)trimethyl-, bromide, dimethylcarbamate (ester), {2-[(dimethylcarbamoyl)oxy]naphthalen-1-yl}-N,N,N-trimethylmethanaminium bromide
| Molecular Formula | C17H23BrN2O2 |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | 0.11 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.0943 |
| Heavy Atoms | 22 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 66967-83-7 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)C[N+](C)(C)C.[Br-] |
| InChIKey | SMIDBWYXNACTAO-UHFFFAOYSA-M |
Product Overview
RefChem:318791 (CAS 66967-83-7), with molecular formula C17H23BrN2O2 and molecular weight 366.09 g/mol. IUPAC: [2-(dimethylcarbamoyloxy)naphthalen-1-yl]methyl-trimethylazanium bromide.
Chemical Property Profile of RefChem:318791
Property Insights of RefChem:318791
The XLogP value of 0.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318791. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318791 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318791 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:318791?
The CAS number of RefChem:318791 is 66967-83-7.
What is the molecular formula of RefChem:318791?
The molecular formula of RefChem:318791 is C17H23BrN2O2.
What is the molecular weight of RefChem:318791?
The molecular weight of RefChem:318791 is 366.09 g/mol.
Where can I buy RefChem:318791?
You can request a quote for RefChem:318791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318791?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.