![2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid structure](/static/products/5443/5443-80-1.webp)
2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
TL;DR: 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid (CAS 5443-80-1) is a chemical compound with molecular formula C20H21BrN2O7 and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
Also Known As: 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid, 5-bromo-4-{[(5E)-1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxyacetic acid
| Molecular Formula | C20H21BrN2O7 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 2.7156 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.05322 |
| Heavy Atoms | 30 |
| Complexity | 921.9752 |
Chemical Identifiers
| CAS Number | 5443-80-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)Br)OCC(=O)O |
Product Overview
2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid (CAS 5443-80-1), with molecular formula C20H21BrN2O7 and molecular weight 480.05 g/mol. IUPAC: 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
Property Insights of 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
The XLogP value of 2.7156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid. Following Lipinski's Rule of Five, 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid has 2 hydrogen bond donor(s) and 6 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 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid?
The CAS number of 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid is 5443-80-1.
What is the molecular formula of 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid?
The molecular formula of 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid is C20H21BrN2O7.
What is the molecular weight of 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid?
The molecular weight of 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid is 480.05 g/mol.
Where can I buy 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid?
You can request a quote for 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-bromo-4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.