(1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1)
TL;DR: (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) (CAS 5505-69-1) is a chemical compound with molecular formula C22H28BrNO3 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate bromide
Also Known As: Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrobromide, 2,2-Diphenyl-2-ethoxyacetic acid (1-methyl-2-pyrrolidinyl)methyl ester hydrobromide, (1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate bromide, (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1), Acetic acid, ethoxydiphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrobromide
| Molecular Formula | C22H28BrNO3 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.12527 |
| Heavy Atoms | 27 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 5505-69-1 |
|---|---|
| SMILES | CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCC[NH+]3C.[Br-] |
| InChIKey | BHFXWHJCJHCSMD-UHFFFAOYSA-N |
Product Overview
(1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) (CAS 5505-69-1), with molecular formula C22H28BrNO3 and molecular weight 433.13 g/mol. IUPAC: (1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate bromide.
Chemical Property Profile of (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1)
Property Insights of (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1)
The XLogP value of -0.81 indicates that (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) has 1 hydrogen bond donor(s) and 4 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 (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1)?
The CAS number of (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) is 5505-69-1.
What is the molecular formula of (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1)?
The molecular formula of (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) is C22H28BrNO3.
What is the molecular weight of (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1)?
The molecular weight of (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) is 433.13 g/mol.
Where can I buy (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1)?
You can request a quote for (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for (1-Methylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.