RefChem:318828
TL;DR: RefChem:318828 (CAS 66941-37-5) is a chemical compound with molecular formula C15H24BrN3O4 and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide
Also Known As: Ro 2-0708, (3,5-Dihydroxyphenyl)trimethylammonium bromide bis(dimethylcarbamate) (ester), [3,5-bis(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide, Ammonium, (3,5-dihydroxyphenyl)trimethyl-, bromide, bis(dimethylcarbamate) (ester), 3,5-bis[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide
| Molecular Formula | C15H24BrN3O4 |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | -0.99 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.09503 |
| Heavy Atoms | 23 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 66941-37-5 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC(=CC(=C1)[N+](C)(C)C)OC(=O)N(C)C.[Br-] |
| InChIKey | VHFDMRCMOKLCJR-UHFFFAOYSA-M |
Product Overview
RefChem:318828 (CAS 66941-37-5), with molecular formula C15H24BrN3O4 and molecular weight 389.10 g/mol. IUPAC: [3,5-bis(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide.
Chemical Property Profile of RefChem:318828
Property Insights of RefChem:318828
The XLogP value of -0.99 indicates that RefChem:318828 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.1 Ų, RefChem:318828 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318828 has 0 hydrogen bond donor(s) and 5 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:318828?
The CAS number of RefChem:318828 is 66941-37-5.
What is the molecular formula of RefChem:318828?
The molecular formula of RefChem:318828 is C15H24BrN3O4.
What is the molecular weight of RefChem:318828?
The molecular weight of RefChem:318828 is 389.10 g/mol.
Where can I buy RefChem:318828?
You can request a quote for RefChem:318828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318828?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.