Pyrimidine,4-(4-bromophenyl)-(9CI)
TL;DR: Pyrimidine,4-(4-bromophenyl)-(9CI) (CAS 53976-18-4) is a chemical compound with molecular formula C21H27NO6S2 and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: Pyrimidine,4-(4-bromophenyl)-(9CI), Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4-ethyl-5-methyl-3-thiophenecarboxylate, ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4-ethyl-5-methylthiophene-3-carboxylate, 3-Thiophenecarboxylic acid, 2-[(2-ethoxy-2-oxoethyl)[(4-methylphenyl)sulfonyl]amino]-4-ethyl-5-methyl-, ethyl ester, ethyl 2-[(2-ethoxy-2-oxo-ethyl)-(p-tolylsulfonyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate
| Molecular Formula | C21H27NO6S2 |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 453.128 |
| Heavy Atoms | 30 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 53976-18-4 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OCC)N(CC(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C)C |
| InChIKey | ILWDMIHFJDAEJF-UHFFFAOYSA-N |
Product Overview
Pyrimidine,4-(4-bromophenyl)-(9CI) (CAS 53976-18-4), with molecular formula C21H27NO6S2 and molecular weight 453.13 g/mol. IUPAC: ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Pyrimidine,4-(4-bromophenyl)-(9CI)
Property Insights of Pyrimidine,4-(4-bromophenyl)-(9CI)
The XLogP value of 4.7 indicates that Pyrimidine,4-(4-bromophenyl)-(9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine,4-(4-bromophenyl)-(9CI). Following Lipinski's Rule of Five, Pyrimidine,4-(4-bromophenyl)-(9CI) has 0 hydrogen bond donor(s) and 8 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 Pyrimidine,4-(4-bromophenyl)-(9CI)?
The CAS number of Pyrimidine,4-(4-bromophenyl)-(9CI) is 53976-18-4.
What is the molecular formula of Pyrimidine,4-(4-bromophenyl)-(9CI)?
The molecular formula of Pyrimidine,4-(4-bromophenyl)-(9CI) is C21H27NO6S2.
What is the molecular weight of Pyrimidine,4-(4-bromophenyl)-(9CI)?
The molecular weight of Pyrimidine,4-(4-bromophenyl)-(9CI) is 453.13 g/mol.
Where can I buy Pyrimidine,4-(4-bromophenyl)-(9CI)?
You can request a quote for Pyrimidine,4-(4-bromophenyl)-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine,4-(4-bromophenyl)-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine,4-(4-bromophenyl)-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.