![(E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate structure](/static/products/476/476319-94-5.png)
(E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate
TL;DR: (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate (CAS 476319-94-5) is a chemical compound with molecular formula C15H10N2O4S2 and molecular weight 346.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate
Also Known As: F0463-0208, (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate, (1,3-benzothiazol-2-yl)methyl (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoate, 1,3-benzothiazol-2-ylmethyl (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate, (1,3-benzothiazol-2-yl)methyl (E)-3-(5-nitro-2-thienyl)acrylate
| Molecular Formula | C15H10N2O4S2 |
|---|---|
| Molecular Weight | 346.01 g/mol |
| LogP | 4.0226 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0082 |
| Heavy Atoms | 23 |
| Complexity | 864.66394 |
Chemical Identifiers
| CAS Number | 476319-94-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)COC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
(E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate (CAS 476319-94-5), with molecular formula C15H10N2O4S2 and molecular weight 346.01 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate.
Chemical Property Profile of (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate
Property Insights of (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate
The XLogP value of 4.0226 indicates that (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate 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 (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate. Following Lipinski's Rule of Five, (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate 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 (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate?
The CAS number of (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate is 476319-94-5.
What is the molecular formula of (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate?
The molecular formula of (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate is C15H10N2O4S2.
What is the molecular weight of (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate?
The molecular weight of (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate is 346.01 g/mol.
Where can I buy (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate?
You can request a quote for (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-benzo[d]thiazol-2-ylmethyl 3-(5-nitrothiophen-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.