(3-氯-4-哌啶基苯基)乙酸
TL;DR: (3-氯-4-哌啶基苯基)乙酸 (CAS 26586-30-1) is a chemical compound with molecular formula C13H16ClNO2 and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-氯-4-哌啶基苯基)乙酸
2-(3-chloro-4-piperidin-1-ylphenyl)acetic acid
Also Known As: (3-Chloro-4-piperidinophenyl)acetic acid, ACETIC ACID, (3-CHLORO-4-PIPERIDINOPHENYL)-, 5-20-03-00070 (Beilstein Handbook Reference), 2-(3-chloro-4-piperidin-1-ylphenyl)acetic acid, [3-chloro-4-(piperidin-1-yl)phenyl]acetic acid
| Molecular Formula | C13H16ClNO2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.08696 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 26586-30-1 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2)CC(=O)O)Cl |
| InChIKey | XXIINSHWYFXOSI-UHFFFAOYSA-N |
Product Overview
(3-氯-4-哌啶基苯基)乙酸 (CAS 26586-30-1), with molecular formula C13H16ClNO2 and molecular weight 253.09 g/mol. IUPAC: 2-(3-chloro-4-piperidin-1-ylphenyl)acetic acid.
Chemical Property Profile of (3-氯-4-哌啶基苯基)乙酸
Property Insights of (3-氯-4-哌啶基苯基)乙酸
The XLogP value of 3.0 indicates that (3-氯-4-哌啶基苯基)乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (3-氯-4-哌啶基苯基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-氯-4-哌啶基苯基)乙酸 has 1 hydrogen bond donor(s) and 3 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 (3-氯-4-哌啶基苯基)乙酸?
The CAS number of (3-氯-4-哌啶基苯基)乙酸 is 26586-30-1.
What is the molecular formula of (3-氯-4-哌啶基苯基)乙酸?
The molecular formula of (3-氯-4-哌啶基苯基)乙酸 is C13H16ClNO2.
What is the molecular weight of (3-氯-4-哌啶基苯基)乙酸?
The molecular weight of (3-氯-4-哌啶基苯基)乙酸 is 253.09 g/mol.
Where can I buy (3-氯-4-哌啶基苯基)乙酸?
You can request a quote for (3-氯-4-哌啶基苯基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-氯-4-哌啶基苯基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (3-氯-4-哌啶基苯基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.