![1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid structure](/static/products/5143/5143-13-5.webp)
1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
TL;DR: 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid (CAS 5143-13-5) is a chemical compound with molecular formula C22H22FNO3S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
Also Known As: 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid, 1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid, 1-[benzothiophen-3-yl-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-2-carboxylic Acid
| Molecular Formula | C22H22FNO3S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 5.0775 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.13043 |
| Heavy Atoms | 28 |
| Complexity | 1002.3655 |
Chemical Identifiers
| CAS Number | 5143-13-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)F |
Product Overview
1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid (CAS 5143-13-5), with molecular formula C22H22FNO3S and molecular weight 399.13 g/mol. IUPAC: 1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid.
Chemical Property Profile of 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
Property Insights of 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
The XLogP value of 5.0775 indicates that 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The CAS number of 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is 5143-13-5.
What is the molecular formula of 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The molecular formula of 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is C22H22FNO3S.
What is the molecular weight of 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The molecular weight of 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is 399.13 g/mol.
Where can I buy 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
You can request a quote for 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.