![Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate structure](/static/products/132/1322254-96-5.png)
Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
TL;DR: Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate (CAS 1322254-96-5) is a chemical compound with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
Also Known As: F1820-0356, methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-2-[(4-cyanobenzoyl)imino]-5,7-dimethyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-methyl 2-(2-((4-cyanobenzoyl)imino)-5,7-dimethylbenzo[d]thiazol-3(2H)-yl)acetate, methyl [(Z)-2-(p-cyanobenzoylimino)-5,7-dimethyl-2,3-dihydro-1,3-benzothiazolidin-3-yl]acetate
| Molecular Formula | C20H17N3O3S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 3.10542 |
| Topological Polar Surface Area | 84.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.09906 |
| Heavy Atoms | 27 |
| Complexity | 1148.1592 |
Chemical Identifiers
| CAS Number | 1322254-96-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)CC(=O)OC)C |
Product Overview
Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate (CAS 1322254-96-5), with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol. IUPAC: methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
Property Insights of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
The XLogP value of 3.10542 indicates that Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate 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 Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
The CAS number of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is 1322254-96-5.
What is the molecular formula of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is C20H17N3O3S.
What is the molecular weight of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is 379.10 g/mol.
Where can I buy Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.