(4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
TL;DR: (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate (CAS 324044-86-2) is a chemical compound with molecular formula C16H12N2O4S2 and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Also Known As: BAS 01259227, BIM-0027631.P001, (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate, 4-nitrobenzyl 2-(benzo[d]thiazol-2-ylthio)acetate, (4-nitrophenyl)methyl 2-benzothiazol-2-ylthioacetate
| Molecular Formula | C16H12N2O4S2 |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 4.04 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.02383 |
| Heavy Atoms | 24 |
| Complexity | 844.1746 |
Chemical Identifiers
| CAS Number | 324044-86-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate (CAS 324044-86-2), with molecular formula C16H12N2O4S2 and molecular weight 360.02 g/mol. IUPAC: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.
Chemical Property Profile of (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Property Insights of (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
The XLogP value of 4.04 indicates that (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate. Following Lipinski's Rule of Five, (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate has 0 hydrogen bond donor(s) and 7 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-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate?
The CAS number of (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate is 324044-86-2.
What is the molecular formula of (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate?
The molecular formula of (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate is C16H12N2O4S2.
What is the molecular weight of (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate?
The molecular weight of (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate is 360.02 g/mol.
Where can I buy (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate?
You can request a quote for (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.