5-苯并噻唑乙酸2-(对异丙苯基)
TL;DR: 5-苯并噻唑乙酸2-(对异丙苯基) (CAS 36782-45-3) is a chemical compound with molecular formula C18H17NO2S and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苯并噻唑乙酸2-(对异丙苯基)
2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-5-yl]acetic acid
Also Known As: 2-(p-Cumenyl)-5-benzothiazoleacetic acid, 5-BENZOTHIAZOLEACETIC ACID, 2-(p-CUMENYL)-, (2-phenyl-benzothiazol-6-yl)-acetic acid, 2-(4-Isopropylphenyl)-5-benzothiazoleacetic acid, 2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-5-yl]acetic acid
| Molecular Formula | C18H17NO2S |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.098 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 36782-45-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)O |
| InChIKey | RBULJSNVVSSVKH-UHFFFAOYSA-N |
Product Overview
5-苯并噻唑乙酸2-(对异丙苯基) (CAS 36782-45-3), with molecular formula C18H17NO2S and molecular weight 311.10 g/mol. IUPAC: 2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-5-yl]acetic acid.
Chemical Property Profile of 5-苯并噻唑乙酸2-(对异丙苯基)
Property Insights of 5-苯并噻唑乙酸2-(对异丙苯基)
The XLogP value of 4.8 indicates that 5-苯并噻唑乙酸2-(对异丙苯基) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-苯并噻唑乙酸2-(对异丙苯基). Following Lipinski's Rule of Five, 5-苯并噻唑乙酸2-(对异丙苯基) has 1 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 5-苯并噻唑乙酸2-(对异丙苯基)?
The CAS number of 5-苯并噻唑乙酸2-(对异丙苯基) is 36782-45-3.
What is the molecular formula of 5-苯并噻唑乙酸2-(对异丙苯基)?
The molecular formula of 5-苯并噻唑乙酸2-(对异丙苯基) is C18H17NO2S.
What is the molecular weight of 5-苯并噻唑乙酸2-(对异丙苯基)?
The molecular weight of 5-苯并噻唑乙酸2-(对异丙苯基) is 311.10 g/mol.
Where can I buy 5-苯并噻唑乙酸2-(对异丙苯基)?
You can request a quote for 5-苯并噻唑乙酸2-(对异丙苯基) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苯并噻唑乙酸2-(对异丙苯基)?
Yes, KEHONG BIO provides custom synthesis services for 5-苯并噻唑乙酸2-(对异丙苯基) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.