![Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate structure](/static/products/897/897734-23-5.png)
Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate
TL;DR: Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate (CAS 897734-23-5) is a chemical compound with molecular formula C18H15BrN2O5S2 and molecular weight 481.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-1070, (Z)-methyl 2-(2-((4-bromobenzoyl)imino)-6-(methylsulfonyl)benzo[d]thiazol-3(2H)-yl)acetate, methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-2-[(4-bromobenzoyl)imino]-6-methanesulfonyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-benzothiazol-3-yl]acetate
| Molecular Formula | C18H15BrN2O5S2 |
|---|---|
| Molecular Weight | 481.96 g/mol |
| LogP | 2.7829 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.96057 |
| Heavy Atoms | 28 |
| Complexity | 1241.2118 |
Chemical Identifiers
| CAS Number | 897734-23-5 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)Br |
Product Overview
Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate (CAS 897734-23-5), with molecular formula C18H15BrN2O5S2 and molecular weight 481.96 g/mol. IUPAC: methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate
Property Insights of Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate
The XLogP value of 2.7829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-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 Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate?
The CAS number of Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate is 897734-23-5.
What is the molecular formula of Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate is C18H15BrN2O5S2.
What is the molecular weight of Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate is 481.96 g/mol.
Where can I buy Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-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-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-(4-bromobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.