1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester
TL;DR: 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester (CAS 78364-43-9) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetate
Also Known As: Ethyl 1-(2-benzothiazolyl)-3,5-dimethyl-1H-pyrazole-4-acetate, 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester, 2-(4'-Carbethoxymethyl-3',5'-dimethylpyrazol-1'-yl)benzothiazole, Ethyl [1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetate, ethyl 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetate
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 3.20444 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 802.14874 |
Chemical Identifiers
| CAS Number | 78364-43-9 |
|---|---|
| SMILES | CCOC(=O)CC1=C(N(N=C1C)C2=NC3=CC=CC=C3S2)C |
Product Overview
1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester (CAS 78364-43-9), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: ethyl 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetate.
Chemical Property Profile of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester
Property Insights of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester
The XLogP value of 3.20444 indicates that 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, 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 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester?
The CAS number of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester is 78364-43-9.
What is the molecular formula of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester?
The molecular formula of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester is C16H17N3O2S.
What is the molecular weight of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester?
The molecular weight of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester is 315.10 g/mol.
Where can I buy 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester?
You can request a quote for 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.