5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester
TL;DR: 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester (CAS 49702-17-2) is a chemical compound with molecular formula C18H17NO3S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-methoxyphenyl)-1,3-benzothiazol-5-yl]acetate
Also Known As: 5-Benzothiazoleacetic acid,2-pyridyl, Ethyl 2-(4-methoxyphenyl)-5-benzothiazoleacetate, 5-BENZOTHIAZOLEACETIC ACID, 2-(4-METHOXYPHENYL)-, ETHYL ESTER, ethyl 2-[2-(4-methoxyphenyl)-1,3-benzothiazol-5-yl]acetate, 2-(4-Methoxyphenyl)-5-benzothiazoleacetic acid ethyl ester
| Molecular Formula | C18H17NO3S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.09293 |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 49702-17-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)OC |
| InChIKey | RGIKAFNNDOGWCB-UHFFFAOYSA-N |
Product Overview
5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester (CAS 49702-17-2), with molecular formula C18H17NO3S and molecular weight 327.09 g/mol. IUPAC: ethyl 2-[2-(4-methoxyphenyl)-1,3-benzothiazol-5-yl]acetate.
Chemical Property Profile of 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester
Property Insights of 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester
The XLogP value of 4.2 indicates that 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester. Following Lipinski's Rule of Five, 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester has 0 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-methoxyphenyl)-, ethyl ester?
The CAS number of 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester is 49702-17-2.
What is the molecular formula of 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester?
The molecular formula of 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester is C18H17NO3S.
What is the molecular weight of 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester?
The molecular weight of 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester is 327.09 g/mol.
Where can I buy 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester?
You can request a quote for 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester 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-methoxyphenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.