![methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate structure](/static/products/4452/445288-02-8.webp)
methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 445288-02-8) is a chemical compound with molecular formula C18H21ClN2O6S and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, methyl 4-(3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, METHYL 4-[3-CHLORO-4-(2-ETHOXY-2-OXOETHOXY)-5-METHOXYPHENYL]-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
| Molecular Formula | C18H21ClN2O6S |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 2.2563 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.08087 |
| Heavy Atoms | 28 |
| Complexity | 826.539 |
Chemical Identifiers
| CAS Number | 445288-02-8 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1Cl)C2C(=C(NC(=S)N2)C)C(=O)OC)OC |
Product Overview
methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 445288-02-8), with molecular formula C18H21ClN2O6S and molecular weight 428.08 g/mol. IUPAC: methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 2.2563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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 methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 445288-02-8.
What is the molecular formula of methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C18H21ClN2O6S.
What is the molecular weight of methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 428.08 g/mol.
Where can I buy methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-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 methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-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.