Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate
TL;DR: Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate (CAS 73604-76-9) is a chemical compound with molecular formula C20H23NO4S and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-methyl-3-thiophen-2-ylpyrrolidine;(E)-but-2-enedioic acid
Also Known As: 1-Methyl-3-(phenylmethyl)-3-(2-thienyl)pyrrolidine (E)-2-butenedioate, Benzyl-3 N-Methyl (thienyl-2)-3 pyrrolidine fumarate, Benzyl-3 N-Methyl (thienyl-2)-3 pyrrolidine fumarate [French], Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate, 3-benzyl-1-methyl-3-thiophen-2-ylpyrrolidine; (E)-but-2-enedioic acid
| Molecular Formula | C20H23NO4S |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 3.2759 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.13477 |
| Heavy Atoms | 26 |
| Complexity | 726.4364 |
Chemical Identifiers
| CAS Number | 73604-76-9 |
|---|---|
| SMILES | CN1CCC(C1)(CC2=CC=CC=C2)C3=CC=CS3.C(=C/C(=O)O)\C(=O)O |
Product Overview
Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate (CAS 73604-76-9), with molecular formula C20H23NO4S and molecular weight 373.13 g/mol. IUPAC: 3-benzyl-1-methyl-3-thiophen-2-ylpyrrolidine;(E)-but-2-enedioic acid.
Chemical Property Profile of Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate
Property Insights of Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate
The XLogP value of 3.2759 indicates that Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate. Following Lipinski's Rule of Five, Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate has 2 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 Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate?
The CAS number of Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate is 73604-76-9.
What is the molecular formula of Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate?
The molecular formula of Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate is C20H23NO4S.
What is the molecular weight of Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate?
The molecular weight of Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate is 373.13 g/mol.
Where can I buy Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate?
You can request a quote for Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-methyl-3-(phenylmethyl)-3-(2-thienyl)-, (E)-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.