5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-
TL;DR: 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)- (CAS 36774-73-9) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-5-yl]acetic acid
Also Known As: phenyl naphthoate, 2-[4- phenyl]-5-benzothiazoleaceticacid, 2-(4-Dimethylaminophenyl)-5-benzothiazoleacetic acid, 5-BENZOTHIAZOLEACETIC ACID, 2-(4-DIMETHYLAMINOPHENYL)-, 2-[4-(Dimethylamino)phenyl ]-5-benzothiazoleacetic acid
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 36774-73-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)O |
| InChIKey | BIRDTWYHBGEPKA-UHFFFAOYSA-N |
Product Overview
5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)- (CAS 36774-73-9), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 2-[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-5-yl]acetic acid.
Chemical Property Profile of 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-
Property Insights of 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-
The XLogP value of 3.8 indicates that 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-. Following Lipinski's Rule of Five, 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)- has 1 hydrogen bond donor(s) and 5 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-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-?
The CAS number of 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)- is 36774-73-9.
What is the molecular formula of 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-?
The molecular formula of 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)- is C17H16N2O2S.
What is the molecular weight of 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-?
The molecular weight of 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)- is 312.09 g/mol.
Where can I buy 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-?
You can request a quote for 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.