![4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate structure](/static/products/3297/329702-99-0.webp)
4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate
TL;DR: 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate (CAS 329702-99-0) is a chemical compound with molecular formula C22H15ClN2O5S and molecular weight 454.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate, 4-[(1,3-DIMETHYL-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE)METHYL]PHENYL 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE, F0170-0446, [4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate, 4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate
| Molecular Formula | C22H15ClN2O5S |
|---|---|
| Molecular Weight | 454.04 g/mol |
| LogP | 4.2077 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.03903 |
| Heavy Atoms | 31 |
| Complexity | 1252.7982 |
Chemical Identifiers
| CAS Number | 329702-99-0 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)N(C1=O)C |
Product Overview
4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate (CAS 329702-99-0), with molecular formula C22H15ClN2O5S and molecular weight 454.04 g/mol. IUPAC: [4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate
Property Insights of 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate
The XLogP value of 4.2077 indicates that 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate. Following Lipinski's Rule of Five, 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate has 0 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 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
The CAS number of 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate is 329702-99-0.
What is the molecular formula of 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
The molecular formula of 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate is C22H15ClN2O5S.
What is the molecular weight of 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
The molecular weight of 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate is 454.04 g/mol.
Where can I buy 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
You can request a quote for 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.