![(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile structure](/static/products/620/620111-21-9.png)
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile (CAS 620111-21-9) is a chemical compound with molecular formula C29H24N4O2S and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(2-(4-(tert-butyl)phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile
| Molecular Formula | C29H24N4O2S |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | 6.7666 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.162 |
| Heavy Atoms | 36 |
| Complexity | 1699.5535 |
Chemical Identifiers
| CAS Number | 620111-21-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)OC5=CC=C(C=C5)C(C)(C)C |
Product Overview
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile (CAS 620111-21-9), with molecular formula C29H24N4O2S and molecular weight 492.16 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
The XLogP value of 6.7666 indicates that (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile 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 (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is 620111-21-9.
What is the molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is C29H24N4O2S.
What is the molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is 492.16 g/mol.
Where can I buy (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.