S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate
TL;DR: S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate (CAS 353258-75-0) is a chemical compound with molecular formula C18H14N2O4S2 and molecular weight 386.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(6-ethoxy-1,3-benzothiazol-2-yl) (E)-3-(4-nitrophenyl)prop-2-enethioate
Also Known As: S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate, AI-204/31713041, S-(6-ethoxy-1,3-benzothiazol-2-yl) (E)-3-(4-nitrophenyl)prop-2-enethioate
| Molecular Formula | C18H14N2O4S2 |
|---|---|
| Molecular Weight | 386.04 g/mol |
| LogP | 4.9353 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.0395 |
| Heavy Atoms | 26 |
| Complexity | 980.5247 |
Chemical Identifiers
| CAS Number | 353258-75-0 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate (CAS 353258-75-0), with molecular formula C18H14N2O4S2 and molecular weight 386.04 g/mol. IUPAC: S-(6-ethoxy-1,3-benzothiazol-2-yl) (E)-3-(4-nitrophenyl)prop-2-enethioate.
Chemical Property Profile of S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate
Property Insights of S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate
The XLogP value of 4.9353 indicates that S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate 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 S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate. Following Lipinski's Rule of Five, S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate 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 S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate?
The CAS number of S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate is 353258-75-0.
What is the molecular formula of S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate?
The molecular formula of S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate is C18H14N2O4S2.
What is the molecular weight of S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate?
The molecular weight of S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate is 386.04 g/mol.
Where can I buy S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate?
You can request a quote for S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(6-ethoxy-1,3-benzothiazol-2-yl) 3-{4-nitrophenyl}-2-propenethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.