Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate
TL;DR: Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate (CAS 116184-17-9) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(2-phenylhydrazinyl)-1,2-benzothiazol-5-yl]acetate
Also Known As: Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate, methyl[3-(2-phenylhydrazinyl)-1,2-benzothiazol-5-yl]acetate, methyl 2-[3-(2-phenylhydrazinyl)-1,2-benzothiazol-5-yl]acetate, 1,2-Benzisothiazole-5-acetic acid, 3-(2-phenylhydrazinyl)-, methyl ester, 1,2-Benzisothiazole-5-aceticacid, 3-(2-phenylhydrazinyl)-, methyl ester
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 116184-17-9 |
|---|---|
| SMILES | COC(=O)CC1=CC2=C(C=C1)SN=C2NNC3=CC=CC=C3 |
| InChIKey | BOQIFEOISXHTPU-UHFFFAOYSA-N |
Product Overview
Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate (CAS 116184-17-9), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: methyl 2-[3-(2-phenylhydrazinyl)-1,2-benzothiazol-5-yl]acetate.
Chemical Property Profile of Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate
Property Insights of Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate
The XLogP value of 4.3 indicates that Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate. Following Lipinski's Rule of Five, Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate has 2 hydrogen bond donor(s) and 6 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 Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate?
The CAS number of Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate is 116184-17-9.
What is the molecular formula of Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate?
The molecular formula of Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate is C16H15N3O2S.
What is the molecular weight of Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate?
The molecular weight of Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate is 313.09 g/mol.
Where can I buy Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate?
You can request a quote for Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.