1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate
TL;DR: 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate (CAS 58562-61-1) is a chemical compound with molecular formula C25H30N2O7S and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-pyrrolidin-1-yl-2-thiophen-2-ylbutanenitrile;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: alpha-(Phenylmethyl)-alpha-2-thienyl-1-pyrrolidinebutanenitrile citrate, 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate, Benzyl-2 (pyrrolidinyl-1')-4 (thienyl-2'')-2 butyronitrile citrate [French], Benzyl-2 (pyrrolidinyl-1')-4 (thienyl-2'')-2 butyronitrile citrate, 2-benzyl-4-pyrrolidin-1-yl-2-thiophen-2-ylbutanenitrile; 2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C25H30N2O7S |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | 2.98958 |
| Topological Polar Surface Area | 159.16 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 502.17737 |
| Heavy Atoms | 35 |
| Complexity | 998.1912 |
Chemical Identifiers
| CAS Number | 58562-61-1 |
|---|---|
| SMILES | C1CCN(C1)CCC(CC2=CC=CC=C2)(C#N)C3=CC=CS3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate (CAS 58562-61-1), with molecular formula C25H30N2O7S and molecular weight 502.18 g/mol. IUPAC: 2-benzyl-4-pyrrolidin-1-yl-2-thiophen-2-ylbutanenitrile;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate
Property Insights of 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate
The XLogP value of 2.98958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate. The TPSA of 159.16 Ų indicates high polarity, suggesting 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate?
The CAS number of 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate is 58562-61-1.
What is the molecular formula of 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate?
The molecular formula of 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate is C25H30N2O7S.
What is the molecular weight of 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate?
The molecular weight of 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate is 502.18 g/mol.
Where can I buy 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate?
You can request a quote for 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.