![2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol structure](/static/products/877/877788-06-2.png)
2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol
TL;DR: 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol (CAS 877788-06-2) is a chemical compound with molecular formula C26H23ClFN3O4 and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-6-fluorophenyl)methoxy]phenol
Also Known As: 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol, (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one, 2-(2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl)-5-((2-chloro-6-fluorobenzyl)oxy)phenol, 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol, 2-[2-AMINO-5-(3,4-DIMETHOXYPHENYL)-6-METHYLPYRIMIDIN-4-YL]-5-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]PHENOL
| Molecular Formula | C26H23ClFN3O4 |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 5.79552 |
| Topological Polar Surface Area | 99.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.1361 |
| Heavy Atoms | 35 |
| Complexity | 1377.3735 |
Chemical Identifiers
| CAS Number | 877788-06-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)N)C2=C(C=C(C=C2)OCC3=C(C=CC=C3Cl)F)O)C4=CC(=C(C=C4)OC)OC |
Product Overview
2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol (CAS 877788-06-2), with molecular formula C26H23ClFN3O4 and molecular weight 495.14 g/mol. IUPAC: 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-6-fluorophenyl)methoxy]phenol.
Chemical Property Profile of 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol
Property Insights of 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol
The XLogP value of 5.79552 indicates that 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol 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 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol. Following Lipinski's Rule of Five, 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol?
The CAS number of 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol is 877788-06-2.
What is the molecular formula of 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol?
The molecular formula of 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol is C26H23ClFN3O4.
What is the molecular weight of 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol?
The molecular weight of 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol is 495.14 g/mol.
Where can I buy 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol?
You can request a quote for 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-4-pyrimidinyl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.