(1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate
TL;DR: (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate (CAS 327971-90-4) is a chemical compound with molecular formula C22H18N2O4S2 and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 2-[(4-methylphenyl)sulfonylamino]benzoate
Also Known As: (1,3-benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate, F0325-0178, (1,3-benzothiazol-2-yl)methyl o-(tosylamino)benzoate, 1,3-benzothiazol-2-ylmethyl 2-[(4-methylphenyl)sulfonylamino]benzoate, benzo[d]thiazol-2-ylmethyl 2-(4-methylphenylsulfonamido)benzoate
| Molecular Formula | C22H18N2O4S2 |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 4.76252 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.0708 |
| Heavy Atoms | 30 |
| Complexity | 1279.4923 |
Chemical Identifiers
| CAS Number | 327971-90-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3 |
Product Overview
(1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate (CAS 327971-90-4), with molecular formula C22H18N2O4S2 and molecular weight 438.07 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 2-[(4-methylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate
Property Insights of (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate
The XLogP value of 4.76252 indicates that (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate. Following Lipinski's Rule of Five, (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate 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 (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate?
The CAS number of (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate is 327971-90-4.
What is the molecular formula of (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate?
The molecular formula of (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate is C22H18N2O4S2.
What is the molecular weight of (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate?
The molecular weight of (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate is 438.07 g/mol.
Where can I buy (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate?
You can request a quote for (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.