RefChem:318795
TL;DR: RefChem:318795 (CAS 66967-98-4) is a chemical compound with molecular formula C21H37BrN2O2 and molecular weight 428.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylcarbamoyloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl-trimethylazanium bromide
Also Known As: Ro 2-1898, Ammonium, (2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzyl)trimethyl-, bromide, dimethylcarbamate (ester), [2-(dimethylcarbamoyloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl-trimethylazanium bromide, AMMONIUM, (2-HYDROXY-5-(1,1,3,3-TETRAMETHYLBUTYL)BENZYL)TRIMETHYL-, BROMIDE, DIM, {2-[(Dimethylcarbamoyl)oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl}-N,N,N-trimethylmethanaminium bromide
| Molecular Formula | C21H37BrN2O2 |
|---|---|
| Molecular Weight | 428.20 g/mol |
| LogP | 1.67 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.20383 |
| Heavy Atoms | 26 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 66967-98-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OC(=O)N(C)C)C[N+](C)(C)C.[Br-] |
| InChIKey | RMBDGXHKVAUITG-UHFFFAOYSA-M |
Product Overview
RefChem:318795 (CAS 66967-98-4), with molecular formula C21H37BrN2O2 and molecular weight 428.20 g/mol. IUPAC: [2-(dimethylcarbamoyloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl-trimethylazanium bromide.
Chemical Property Profile of RefChem:318795
Property Insights of RefChem:318795
The XLogP value of 1.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318795. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318795 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318795 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:318795?
The CAS number of RefChem:318795 is 66967-98-4.
What is the molecular formula of RefChem:318795?
The molecular formula of RefChem:318795 is C21H37BrN2O2.
What is the molecular weight of RefChem:318795?
The molecular weight of RefChem:318795 is 428.20 g/mol.
Where can I buy RefChem:318795?
You can request a quote for RefChem:318795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.