(2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester
TL;DR: (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester (CAS 154184-22-2) is a chemical compound with molecular formula C15H9ClN2O5S and molecular weight 363.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2-nitrophenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
Also Known As: AE-641/11516669, (2-OXO-BENZOTHIAZOL-3-YL)-ACETIC ACID 4-CHLORO-2-NITRO-PHENYL ESTER, (4-chloro-2-nitrophenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate, 4-chloro-2-nitrophenyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate, 4-chloro-2-nitrophenyl 2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate
| Molecular Formula | C15H9ClN2O5S |
|---|---|
| Molecular Weight | 363.99 g/mol |
| LogP | 3.2302 |
| Topological Polar Surface Area | 91.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.99207 |
| Heavy Atoms | 24 |
| Complexity | 1010.5122 |
Chemical Identifiers
| CAS Number | 154184-22-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
(2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester (CAS 154184-22-2), with molecular formula C15H9ClN2O5S and molecular weight 363.99 g/mol. IUPAC: (4-chloro-2-nitrophenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate.
Chemical Property Profile of (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester
Property Insights of (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester
The XLogP value of 3.2302 indicates that (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester. Following Lipinski's Rule of Five, (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester 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 (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester?
The CAS number of (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester is 154184-22-2.
What is the molecular formula of (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester?
The molecular formula of (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester is C15H9ClN2O5S.
What is the molecular weight of (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester?
The molecular weight of (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester is 363.99 g/mol.
Where can I buy (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester?
You can request a quote for (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxo-benzothiazol-3-YL)-acetic acid 4-chloro-2-nitro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.