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Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate
TL;DR: Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate (CAS 391866-90-3) is a chemical compound with molecular formula C18H12N2O4S and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: ChemDiv2_003626, IDI1_002341, AB00684326-01, F0463-0046, 1,3-benzothiazol-2-ylmethyl 2-(1,3-dioxoisoindol-2-yl)acetate
| Molecular Formula | C18H12N2O4S |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 2.6357 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.0518 |
| Heavy Atoms | 25 |
| Complexity | 942.9885 |
Chemical Identifiers
| CAS Number | 391866-90-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC3=NC4=CC=CC=C4S3 |
Product Overview
Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate (CAS 391866-90-3), with molecular formula C18H12N2O4S and molecular weight 352.05 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate
Property Insights of Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate
The XLogP value of 2.6357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate. Following Lipinski's Rule of Five, Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-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 Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
The CAS number of Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate is 391866-90-3.
What is the molecular formula of Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
The molecular formula of Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate is C18H12N2O4S.
What is the molecular weight of Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
The molecular weight of Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate is 352.05 g/mol.
Where can I buy Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
You can request a quote for Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzo[d]thiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.