2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
TL;DR: 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate (CAS 331986-10-8) is a chemical compound with molecular formula C19H18ClNO3S and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
Also Known As: BAS 00748438, AE-641/11517247, 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate, (5-methyl-2-propan-2-ylphenyl) 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate, 2-isopropyl-5-methylphenyl 2-(4-chloro-2-oxobenzo[d]thiazol-3(2H)-yl)acetate
| Molecular Formula | C19H18ClNO3S |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 4.75382 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.06958 |
| Heavy Atoms | 25 |
| Complexity | 1003.56213 |
Chemical Identifiers
| CAS Number | 331986-10-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)CN2C3=C(C=CC=C3Cl)SC2=O |
Product Overview
2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate (CAS 331986-10-8), with molecular formula C19H18ClNO3S and molecular weight 375.07 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate.
Chemical Property Profile of 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
Property Insights of 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
The XLogP value of 4.75382 indicates that 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-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 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate?
The CAS number of 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate is 331986-10-8.
What is the molecular formula of 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate?
The molecular formula of 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate is C19H18ClNO3S.
What is the molecular weight of 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate?
The molecular weight of 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate is 375.07 g/mol.
Where can I buy 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate?
You can request a quote for 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-isopropyl-5-methylphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.