A2957/0124486
TL;DR: A2957/0124486 (CAS 402516-33-0) is a chemical compound with molecular formula C13H15BrN2O3S and molecular weight 358.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: A2957/0124486, propyl 4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, propyl 4-(5-bromothien-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, propyl 4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, PROPYL 4-(5-BROMO-2-THIENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
| Molecular Formula | C13H15BrN2O3S |
|---|---|
| Molecular Weight | 358.00 g/mol |
| LogP | 3.0917 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.9987 |
| Heavy Atoms | 20 |
| Complexity | 567.7174 |
Chemical Identifiers
| CAS Number | 402516-33-0 |
|---|---|
| SMILES | CCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)Br)C |
Product Overview
A2957/0124486 (CAS 402516-33-0), with molecular formula C13H15BrN2O3S and molecular weight 358.00 g/mol. IUPAC: propyl 4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of A2957/0124486
Property Insights of A2957/0124486
The XLogP value of 3.0917 indicates that A2957/0124486 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for A2957/0124486. Following Lipinski's Rule of Five, A2957/0124486 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 A2957/0124486?
The CAS number of A2957/0124486 is 402516-33-0.
What is the molecular formula of A2957/0124486?
The molecular formula of A2957/0124486 is C13H15BrN2O3S.
What is the molecular weight of A2957/0124486?
The molecular weight of A2957/0124486 is 358.00 g/mol.
Where can I buy A2957/0124486?
You can request a quote for A2957/0124486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2957/0124486?
Yes, KEHONG BIO provides custom synthesis services for A2957/0124486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.