2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-
TL;DR: 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)- (CAS 113408-21-2) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione
Also Known As: UPCMLD0ENAT5766007:001, 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-, 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione, 1-(6-Methylbenzo[d]thiazol-2-yl)pyrrolidine-2,5-dione, 1-(6-methylbenzothiazol-2-yl)azolidine-2,5-dione
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.25812 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 616.4674 |
Chemical Identifiers
| CAS Number | 113408-21-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)N3C(=O)CCC3=O |
Product Overview
2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)- (CAS 113408-21-2), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione.
Chemical Property Profile of 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-
Property Insights of 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-
The XLogP value of 2.25812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-. With a topological polar surface area (TPSA) of 50.27 Ų, 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)- has 0 hydrogen bond donor(s) and 4 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 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-?
The CAS number of 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)- is 113408-21-2.
What is the molecular formula of 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-?
The molecular formula of 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)- is C12H10N2O2S.
What is the molecular weight of 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-?
The molecular weight of 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)- is 246.05 g/mol.
Where can I buy 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-?
You can request a quote for 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.