![ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate structure](/static/products/6389/638995-70-7.webp)
ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 638995-70-7) is a chemical compound with molecular formula C22H23BrN2O4S and molecular weight 490.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(3-((4-bromophenoxy)methyl)-4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C22H23BrN2O4S |
|---|---|
| Molecular Weight | 490.06 g/mol |
| LogP | 4.3926 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.05618 |
| Heavy Atoms | 30 |
| Complexity | 975.60284 |
Chemical Identifiers
| CAS Number | 638995-70-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br)C |
Product Overview
ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 638995-70-7), with molecular formula C22H23BrN2O4S and molecular weight 490.06 g/mol. IUPAC: ethyl 4-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 4.3926 indicates that ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 5 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 ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 638995-70-7.
What is the molecular formula of ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C22H23BrN2O4S.
What is the molecular weight of ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 490.06 g/mol.
Where can I buy ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.