α-环己基噻吩-3-乙酸
TL;DR: α-环己基噻吩-3-乙酸 (CAS 16199-74-9) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-环己基噻吩-3-乙酸
2-cyclohexyl-2-thiophen-3-ylacetic acid
Also Known As: 2-cyclohexyl-2-thiophen-3-ylacetic acid, alpha-Cyclohexylthiophen-3-acetic acid, cyclohexyl(thiophen-3-yl)acetic acid, alpha-cyclohexyl-3-thienylacetic acid, cyclohexyl-thiophen-3-yl-acetic acid
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 16199-74-9 |
|---|---|
| SMILES | C1CCC(CC1)C(C2=CSC=C2)C(=O)O |
| InChIKey | OEEPFYFKBOUIEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-环己基噻吩-3-乙酸 (CAS 16199-74-9), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: 2-cyclohexyl-2-thiophen-3-ylacetic acid.
Chemical Property Profile of α-环己基噻吩-3-乙酸
Property Insights of α-环己基噻吩-3-乙酸
The XLogP value of 3.8 indicates that α-环己基噻吩-3-乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for α-环己基噻吩-3-乙酸. Following Lipinski's Rule of Five, α-环己基噻吩-3-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 α-环己基噻吩-3-乙酸?
The CAS number of α-环己基噻吩-3-乙酸 is 16199-74-9.
What is the molecular formula of α-环己基噻吩-3-乙酸?
The molecular formula of α-环己基噻吩-3-乙酸 is C12H16O2S.
What is the molecular weight of α-环己基噻吩-3-乙酸?
The molecular weight of α-环己基噻吩-3-乙酸 is 224.09 g/mol.
Where can I buy α-环己基噻吩-3-乙酸?
You can request a quote for α-环己基噻吩-3-乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-环己基噻吩-3-乙酸?
Yes, KEHONG BIO provides custom synthesis services for α-环己基噻吩-3-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.