![(Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate structure](/static/products/942/942011-77-0.png)
(Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
TL;DR: (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate (CAS 942011-77-0) is a chemical compound with molecular formula C22H15N3O5S and molecular weight 433.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate
Also Known As: (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate, F1365-2040, methyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate, methyl (2Z)-2-{[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]imino}-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazole-6-carboxylate, Methyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-prop-2-ynyl-benzothiazole-6-carboxylate
| Molecular Formula | C22H15N3O5S |
|---|---|
| Molecular Weight | 433.07 g/mol |
| LogP | 1.8461 |
| Topological Polar Surface Area | 98.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.07324 |
| Heavy Atoms | 31 |
| Complexity | 1340.7795 |
Chemical Identifiers
| CAS Number | 942011-77-0 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)CC#C |
Product Overview
(Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate (CAS 942011-77-0), with molecular formula C22H15N3O5S and molecular weight 433.07 g/mol. IUPAC: methyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
Property Insights of (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
The XLogP value of 1.8461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate. The TPSA of 98.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate 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 (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate?
The CAS number of (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate is 942011-77-0.
What is the molecular formula of (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate?
The molecular formula of (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate is C22H15N3O5S.
What is the molecular weight of (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate?
The molecular weight of (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate is 433.07 g/mol.
Where can I buy (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate?
You can request a quote for (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.