J2.594.074A
TL;DR: J2.594.074A (CAS 14757-97-2) is a chemical compound with molecular formula C12H13BrN2O3S and molecular weight 343.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: J2.594.074A, Ethyl 4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 4-(5-Bromothiophen-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester, ETHYL 4-(5-BROMO-2-THIENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE, ethyl 4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C12H13BrN2O3S |
|---|---|
| Molecular Weight | 343.98 g/mol |
| LogP | 2.7016 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.98303 |
| Heavy Atoms | 19 |
| Complexity | 552.9243 |
Chemical Identifiers
| CAS Number | 14757-97-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)Br)C |
Product Overview
J2.594.074A (CAS 14757-97-2), with molecular formula C12H13BrN2O3S and molecular weight 343.98 g/mol. IUPAC: ethyl 4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of J2.594.074A
Property Insights of J2.594.074A
The XLogP value of 2.7016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.594.074A. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.594.074A. Following Lipinski's Rule of Five, J2.594.074A has 2 hydrogen bond donor(s) and 4 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 J2.594.074A?
The CAS number of J2.594.074A is 14757-97-2.
What is the molecular formula of J2.594.074A?
The molecular formula of J2.594.074A is C12H13BrN2O3S.
What is the molecular weight of J2.594.074A?
The molecular weight of J2.594.074A is 343.98 g/mol.
Where can I buy J2.594.074A?
You can request a quote for J2.594.074A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.594.074A?
Yes, KEHONG BIO provides custom synthesis services for J2.594.074A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.