Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate
TL;DR: Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate (CAS 865197-86-0) is a chemical compound with molecular formula C12H11BrN2O3S and molecular weight 341.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate
Also Known As: IFLab1_005405, IDI1_010808, F1366-0661, methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate, methyl 2-[(2Z)-2-(acetylimino)-6-bromo-2,3-dihydro-1,3-benzothiazol-3-yl]acetate
| Molecular Formula | C12H11BrN2O3S |
|---|---|
| Molecular Weight | 341.97 g/mol |
| LogP | 2.0855 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.96738 |
| Heavy Atoms | 19 |
| Complexity | 717.32306 |
Chemical Identifiers
| CAS Number | 865197-86-0 |
|---|---|
| SMILES | CC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC(=O)OC |
Product Overview
Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate (CAS 865197-86-0), with molecular formula C12H11BrN2O3S and molecular weight 341.97 g/mol. IUPAC: methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate.
Chemical Property Profile of Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate
Property Insights of Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate
The XLogP value of 2.0855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate 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 Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate?
The CAS number of Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate is 865197-86-0.
What is the molecular formula of Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate?
The molecular formula of Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate is C12H11BrN2O3S.
What is the molecular weight of Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate?
The molecular weight of Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate is 341.97 g/mol.
Where can I buy Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate?
You can request a quote for Methyl 2-(2-acetylimino-6-bromo-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-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.