![2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione structure](/static/products/6953/6953-35-1.webp)
2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione
TL;DR: 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione (CAS 6953-35-1) is a chemical compound with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]isoindole-1,3-dione
Also Known As: NCIStruc1_001669, NCIStruc2_001879, NCI60_000959, 1H-Isoindole-1,3(2H)-dione,2-[[(6-methoxy-2-benzothiazolyl)amino]methyl]-, 2-{[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione
| Molecular Formula | C17H13N3O3S |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.06775 |
| Heavy Atoms | 24 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 6953-35-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NCN3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | RROCFEIMNKZUNH-UHFFFAOYSA-N |
Product Overview
2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione (CAS 6953-35-1), with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol. IUPAC: 2-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione
Property Insights of 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione
The XLogP value of 3.4 indicates that 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione. Following Lipinski's Rule of Five, 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione has 1 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 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione?
The CAS number of 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione is 6953-35-1.
What is the molecular formula of 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione?
The molecular formula of 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione is C17H13N3O3S.
What is the molecular weight of 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione?
The molecular weight of 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione is 339.07 g/mol.
Where can I buy 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione?
You can request a quote for 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(6-Methoxy-1,3-benzothiazol-2-yl)amino]methyl}-1h-isoindole-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.