2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester
TL;DR: 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester (CAS 64048-09-5) is a chemical compound with molecular formula C14H21NO2S and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpiperidin-1-yl)propyl thiophene-2-carboxylate
Also Known As: 3-(2-methylpiperidin-1-yl)propyl thiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester, 3-(2-methylpiperidin-1-yl)propylthiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 3-(2-methyl-1-piperidinyl)propyl ester, RefChem:1064859
| Molecular Formula | C14H21NO2S |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.1293 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 64048-09-5 |
|---|---|
| SMILES | CC1CCCCN1CCCOC(=O)C2=CC=CS2 |
| InChIKey | WYDBQEACYWRGIP-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester (CAS 64048-09-5), with molecular formula C14H21NO2S and molecular weight 267.13 g/mol. IUPAC: 3-(2-methylpiperidin-1-yl)propyl thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester
Property Insights of 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester
The XLogP value of 3.5 indicates that 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl 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, 3'-(2''-methylpiperidino)propyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester is 64048-09-5.
What is the molecular formula of 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester is C14H21NO2S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester is 267.13 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl 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, 3'-(2''-methylpiperidino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.