![4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate structure](/static/products/853/853751-78-7.png)
4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate
TL;DR: 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate (CAS 853751-78-7) is a chemical compound with molecular formula C16H12ClNO3S and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate
Also Known As: 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate, (4-chlorophenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate, AT-057/11524058, 4-chlorophenyl 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanoate, 4-chlorophenyl 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoate
| Molecular Formula | C16H12ClNO3S |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 3.7121 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.02264 |
| Heavy Atoms | 22 |
| Complexity | 866.97833 |
Chemical Identifiers
| CAS Number | 853751-78-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)OC3=CC=C(C=C3)Cl |
Product Overview
4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate (CAS 853751-78-7), with molecular formula C16H12ClNO3S and molecular weight 333.02 g/mol. IUPAC: (4-chlorophenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate.
Chemical Property Profile of 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate
Property Insights of 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate
The XLogP value of 3.7121 indicates that 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate 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 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate?
The CAS number of 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate is 853751-78-7.
What is the molecular formula of 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate?
The molecular formula of 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate is C16H12ClNO3S.
What is the molecular weight of 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate?
The molecular weight of 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate is 333.02 g/mol.
Where can I buy 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate?
You can request a quote for 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorophenyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.