![{2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid structure](/static/products/4449/444934-93-4.webp)
{2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid
TL;DR: {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid (CAS 444934-93-4) is a chemical compound with molecular formula C18H21BrN2O6S and molecular weight 472.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-6-ethoxy-4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid
Also Known As: {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid, 2-[2-bromo-6-ethoxy-4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid, 2-(2-bromo-6-ethoxy-4-(5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl)phenoxy)acetic acid, 2-{2-BROMO-6-ETHOXY-4-[5-(ETHOXYCARBONYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDRO-4-PYRIMIDINYL]PHENOXY}ACETIC ACID
| Molecular Formula | C18H21BrN2O6S |
|---|---|
| Molecular Weight | 472.03 g/mol |
| LogP | 2.6671 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.03036 |
| Heavy Atoms | 28 |
| Complexity | 826.539 |
Chemical Identifiers
| CAS Number | 444934-93-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)OCC(=O)O |
Product Overview
{2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid (CAS 444934-93-4), with molecular formula C18H21BrN2O6S and molecular weight 472.03 g/mol. IUPAC: 2-[2-bromo-6-ethoxy-4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid.
Chemical Property Profile of {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid
Property Insights of {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid
The XLogP value of 2.6671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid. Following Lipinski's Rule of Five, {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid has 3 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-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid?
The CAS number of {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid is 444934-93-4.
What is the molecular formula of {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid?
The molecular formula of {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid is C18H21BrN2O6S.
What is the molecular weight of {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid?
The molecular weight of {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid is 472.03 g/mol.
Where can I buy {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid?
You can request a quote for {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}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-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.