Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)
TL;DR: Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1) (CAS 52-61-9) is a chemical compound with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzyl-1-methylpyrrolidin-1-ium-3-yl) acetate bromide
Also Known As: Pyrrolidinium, bromide, 3-Acetyloxy-1-benzyl-1-methylpyrrolidinium bromide, N-benzyl-3-pyrrolidylacetate Methobromide, Pyrrolidinium, 3-acetyloxy-1-benzyl-1-methyl-, bromide, 3-(Acetyloxy)-1-methyl-1-(phenylmethyl)pyrrolidinium, bromide
| Molecular Formula | C14H20BrNO2 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | -1.03 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.06775 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 52-61-9 |
|---|---|
| SMILES | CC(=O)OC1CC[N+](C1)(C)CC2=CC=CC=C2.[Br-] |
| InChIKey | WYDCXLIXKFFQFX-UHFFFAOYSA-M |
Product Overview
Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1) (CAS 52-61-9), with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol. IUPAC: (1-benzyl-1-methylpyrrolidin-1-ium-3-yl) acetate bromide.
Chemical Property Profile of Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)
Property Insights of Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)
The XLogP value of -1.03 indicates that Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, 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 26.3 Ų, Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1) 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 Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)?
The CAS number of Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1) is 52-61-9.
What is the molecular formula of Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)?
The molecular formula of Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1) is C14H20BrNO2.
What is the molecular weight of Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)?
The molecular weight of Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1) is 313.07 g/mol.
Where can I buy Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)?
You can request a quote for Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, 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 Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.