2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester
TL;DR: 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester (CAS 101584-77-4) is a chemical compound with molecular formula C17H19NO2S and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyl-2-pyrrolidin-1-ylethyl) thiophene-2-carboxylate
Also Known As: alpha-(1-Pyrrolidinylmethyl)benzyl 2-thiophenecarboxylate, 4-20-00-00144 (Beilstein Handbook Reference), 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester, (1-phenyl-2-pyrrolidin-1-ylethyl) thiophene-2-carboxylate, 1-PHENYL-2-(PYRROLIDIN-1-YL)ETHYL THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C17H19NO2S |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 3.742 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.11365 |
| Heavy Atoms | 21 |
| Complexity | 561.7407 |
Chemical Identifiers
| CAS Number | 101584-77-4 |
|---|---|
| SMILES | C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CS3 |
Product Overview
2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester (CAS 101584-77-4), with molecular formula C17H19NO2S and molecular weight 301.11 g/mol. IUPAC: (1-phenyl-2-pyrrolidin-1-ylethyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester
Property Insights of 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester
The XLogP value of 3.742 indicates that 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester has 0 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 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester?
The CAS number of 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester is 101584-77-4.
What is the molecular formula of 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester is C17H19NO2S.
What is the molecular weight of 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester is 301.11 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.