RefChem:318957
TL;DR: RefChem:318957 (CAS 66902-74-7) is a chemical compound with molecular formula C17H29BrN2O2 and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-tert-butyl-2-(dimethylcarbamoyloxy)phenyl]methyl-trimethylazanium bromide
Also Known As: Ro 2-0936, (5-tert-Butyl-2-hydroxybenzyl)trimethylammonium bromide dimethylcarbamate (ester), Ammonium, (5-tert-butyl-2-hydroxybenzyl)trimethyl-, bromide, dimethylcarbamate (ester), [5-tert-Butyl-2-(dimethylcarbamoyloxy)phenyl]methyl-trimethylazaniumbromide, [5-tert-butyl-2-(dimethylcarbamoyloxy)phenyl]methyl-trimethylazanium bromide
| Molecular Formula | C17H29BrN2O2 |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 0.25 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.14124 |
| Heavy Atoms | 22 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 66902-74-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OC(=O)N(C)C)C[N+](C)(C)C.[Br-] |
| InChIKey | AQAYVHOFACTEQW-UHFFFAOYSA-M |
Product Overview
RefChem:318957 (CAS 66902-74-7), with molecular formula C17H29BrN2O2 and molecular weight 372.14 g/mol. IUPAC: [5-tert-butyl-2-(dimethylcarbamoyloxy)phenyl]methyl-trimethylazanium bromide.
Chemical Property Profile of RefChem:318957
Property Insights of RefChem:318957
The XLogP value of 0.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318957. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318957 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318957 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:318957?
The CAS number of RefChem:318957 is 66902-74-7.
What is the molecular formula of RefChem:318957?
The molecular formula of RefChem:318957 is C17H29BrN2O2.
What is the molecular weight of RefChem:318957?
The molecular weight of RefChem:318957 is 372.14 g/mol.
Where can I buy RefChem:318957?
You can request a quote for RefChem:318957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318957?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.