Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1)
TL;DR: Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1) (CAS 73604-77-0) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-methyl-3-thiophen-2-ylpyrrolidine;oxalic acid
Also Known As: 3-Methyl-1-(phenylmethyl)-3-(2-thienyl)pyrrolidine ethanedioate, N-Benzyl methyl-3 (thienyl-2)-3 pyrrolidine oxalate, N-Benzyl methyl-3 (thienyl-2)-3 pyrrolidine oxalate [French], Pyrrolidine, 3-methyl-1-(phenylmethyl)-3-(2-thienyl)-, ethanedioate, 1-benzyl-3-methyl-3-thiophen-2-ylpyrrolidine; oxalic acid
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.0673 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 659.5919 |
Chemical Identifiers
| CAS Number | 73604-77-0 |
|---|---|
| SMILES | CC1(CCN(C1)CC2=CC=CC=C2)C3=CC=CS3.C(=O)(C(=O)O)O |
Product Overview
Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1) (CAS 73604-77-0), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: 1-benzyl-3-methyl-3-thiophen-2-ylpyrrolidine;oxalic acid.
Chemical Property Profile of Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1)
Property Insights of Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1)
The XLogP value of 3.0673 indicates that Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1) 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 Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1). Following Lipinski's Rule of Five, Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1) 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 Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1)?
The CAS number of Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1) is 73604-77-0.
What is the molecular formula of Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1)?
The molecular formula of Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1) is C18H21NO4S.
What is the molecular weight of Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1)?
The molecular weight of Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1) is 347.12 g/mol.
Where can I buy Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1)?
You can request a quote for Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Oxalic acid--1-benzyl-3-methyl-3-(thiophen-2-yl)pyrrolidine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.