![(Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate structure](/static/products/1006/1006017-79-3.webp)
(Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate
TL;DR: (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate (CAS 1006017-79-3) is a chemical compound with molecular formula C20H14ClFN2O3S2 and molecular weight 448.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate
Also Known As: (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate, F1366-4936, ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate, ethyl 2-[(2Z)-2-[(3-chloro-1-benzothiophene-2-carbonyl)imino]-4-fluoro-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, Ethyl 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-4-fluoro-benzothiazol-3-yl]acetate
| Molecular Formula | C20H14ClFN2O3S2 |
|---|---|
| Molecular Weight | 448.01 g/mol |
| LogP | 5.0142 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.01184 |
| Heavy Atoms | 29 |
| Complexity | 1322.5056 |
Chemical Identifiers
| CAS Number | 1006017-79-3 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)F |
Product Overview
(Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate (CAS 1006017-79-3), with molecular formula C20H14ClFN2O3S2 and molecular weight 448.01 g/mol. IUPAC: ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate
Property Insights of (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate
The XLogP value of 5.0142 indicates that (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate?
The CAS number of (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate is 1006017-79-3.
What is the molecular formula of (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate?
The molecular formula of (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate is C20H14ClFN2O3S2.
What is the molecular weight of (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate?
The molecular weight of (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate is 448.01 g/mol.
Where can I buy (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate?
You can request a quote for (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.