Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate
TL;DR: Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate (CAS 73604-73-6) is a chemical compound with molecular formula C14H19NO4S and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine;oxalic acid
Also Known As: 1-Methyl-3-(2-propenyl)-3-(2-thienyl)pyrrolidine ethanedioate, Allyl-3 N-methyl (thienyl-2)-3 pyrrolidine oxalate, Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate, Allyl-3 N-methyl (thienyl-2)-3 pyrrolidine oxalate [French], 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine,oxalic acid
| Molecular Formula | C14H19NO4S |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 2.0531 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1035 |
| Heavy Atoms | 20 |
| Complexity | 459.52826 |
Chemical Identifiers
| CAS Number | 73604-73-6 |
|---|---|
| SMILES | CN1CCC(C1)(CC=C)C2=CC=CS2.C(=O)(C(=O)O)O |
Product Overview
Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate (CAS 73604-73-6), with molecular formula C14H19NO4S and molecular weight 297.10 g/mol. IUPAC: 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine;oxalic acid.
Chemical Property Profile of Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate
Property Insights of Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate
The XLogP value of 2.0531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate. Following Lipinski's Rule of Five, Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate 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-(2-propenyl)-3-(2-thienyl)-, ethanedioate?
The CAS number of Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate is 73604-73-6.
What is the molecular formula of Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate?
The molecular formula of Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate is C14H19NO4S.
What is the molecular weight of Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate?
The molecular weight of Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate is 297.10 g/mol.
Where can I buy Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate?
You can request a quote for Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate 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-(2-propenyl)-3-(2-thienyl)-, ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.