![(6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one structure](/static/products/171/171009-20-4.png)
(6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one
TL;DR: (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one (CAS 171009-20-4) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol
Also Known As: (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one, 2-(2-amino-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrimidin-4-yl)-4-ethyl-5-methoxyphenol, 2-[2-AMINO-5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)PYRIMIDIN-4-YL]-4-ETHYL-5-METHOXYPHENOL, 6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.4406 |
| Topological Polar Surface Area | 99.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 1036.3995 |
Chemical Identifiers
| CAS Number | 171009-20-4 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1OC)O)C2=NC(=NC=C2C3=CC4=C(C=C3)OCCO4)N |
Product Overview
(6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one (CAS 171009-20-4), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: 2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol.
Chemical Property Profile of (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one
Property Insights of (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one
The XLogP value of 3.4406 indicates that (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one has 2 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 (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one?
The CAS number of (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one is 171009-20-4.
What is the molecular formula of (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one?
The molecular formula of (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one is C21H21N3O4.
What is the molecular weight of (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one?
The molecular weight of (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one is 379.15 g/mol.
Where can I buy (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one?
You can request a quote for (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.