![(2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one structure](/static/products/898/898917-67-4.png)
(2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one
TL;DR: (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one (CAS 898917-67-4) is a chemical compound with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-en-1-one
Also Known As: (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one, (E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-en-1-one, (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(2-(p-tolyl)-6,7-dihydrothiazolo[5,4-c]pyridin-5(4H)-yl)prop-2-en-1-one
| Molecular Formula | C23H20N2O3S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 4.44532 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.11948 |
| Heavy Atoms | 29 |
| Complexity | 1101.8108 |
Chemical Identifiers
| CAS Number | 898917-67-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(S2)CN(CC3)C(=O)/C=C/C4=CC5=C(C=C4)OCO5 |
Product Overview
(2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one (CAS 898917-67-4), with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one
Property Insights of (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one
The XLogP value of 4.44532 indicates that (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]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 51.66 Ų, (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one has 0 hydrogen bond donor(s) and 5 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 (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one?
The CAS number of (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one is 898917-67-4.
What is the molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one?
The molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one is C23H20N2O3S.
What is the molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one?
The molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one is 404.12 g/mol.
Where can I buy (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one?
You can request a quote for (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]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 (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.