VU0220954-3
TL;DR: VU0220954-3 (CAS 850189-54-7) 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-(4-methoxyphenoxy)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol
Also Known As: VU0220954-3, 2-(2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl)-5-((2-methylallyl)oxy)phenol, 2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol, 2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol, 6-[2-amino-5-(4-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 850189-54-7 |
|---|---|
| SMILES | CC(=C)COC1=CC(=C(C=C1)C2=NC(=NC=C2OC3=CC=C(C=C3)OC)N)O |
| InChIKey | DCWVJNHRWVAOOD-UHFFFAOYSA-N |
Product Overview
VU0220954-3 (CAS 850189-54-7), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: 2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol.
Chemical Property Profile of VU0220954-3
Property Insights of VU0220954-3
The XLogP value of 3.9 indicates that VU0220954-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0220954-3. Following Lipinski's Rule of Five, VU0220954-3 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 VU0220954-3?
The CAS number of VU0220954-3 is 850189-54-7.
What is the molecular formula of VU0220954-3?
The molecular formula of VU0220954-3 is C21H21N3O4.
What is the molecular weight of VU0220954-3?
The molecular weight of VU0220954-3 is 379.15 g/mol.
Where can I buy VU0220954-3?
You can request a quote for VU0220954-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0220954-3?
Yes, KEHONG BIO provides custom synthesis services for VU0220954-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.