![Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate structure](/static/products/132/1322005-89-9.png)
Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
TL;DR: Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 1322005-89-9) is a chemical compound with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Also Known As: F1820-0081, methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-5,7-dimethyl-2-[(4-nitrobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-methyl 2-(5,7-dimethyl-2-((4-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
| Molecular Formula | C19H17N3O5S |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.14194 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.0889 |
| Heavy Atoms | 28 |
| Complexity | 1158.7661 |
Chemical Identifiers
| CAS Number | 1322005-89-9 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])S2)CC(=O)OC)C |
Product Overview
Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 1322005-89-9), with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol. IUPAC: methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Property Insights of Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
The XLogP value of 3.14194 indicates that Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate has 0 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 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The CAS number of Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is 1322005-89-9.
What is the molecular formula of Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is C19H17N3O5S.
What is the molecular weight of Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is 399.09 g/mol.
Where can I buy Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-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-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.