(2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
TL;DR: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one (CAS 494200-77-0) is a chemical compound with molecular formula C26H23NO4S and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
Also Known As: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one, (Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one, (Z)-2-(benzo[d]thiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one, 2-benzothiazol-2-yl-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
| Molecular Formula | C26H23NO4S |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 6.1357 |
| Topological Polar Surface Area | 57.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.13477 |
| Heavy Atoms | 32 |
| Complexity | 1241.7365 |
Chemical Identifiers
| CAS Number | 494200-77-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(C=C2)OC)OC)/C3=NC4=CC=CC=C4S3 |
Product Overview
(2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one (CAS 494200-77-0), with molecular formula C26H23NO4S and molecular weight 445.13 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
Property Insights of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
The XLogP value of 6.1357 indicates that (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.65 Ų, (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
The CAS number of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one is 494200-77-0.
What is the molecular formula of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
The molecular formula of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one is C26H23NO4S.
What is the molecular weight of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
The molecular weight of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one is 445.13 g/mol.
Where can I buy (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
You can request a quote for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.