BAS 00915816
TL;DR: BAS 00915816 (CAS 5608-36-6) is a chemical compound with molecular formula C16H19BrN2O3S and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00915816, BIM-0025730.P001, 2-(ethylsulfanyl)ethyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(ethylthio)ethyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2-ethylsulfanylethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C16H19BrN2O3S |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 3.3733 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.02997 |
| Heavy Atoms | 23 |
| Complexity | 633.5063 |
Chemical Identifiers
| CAS Number | 5608-36-6 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)Br)C |
Product Overview
BAS 00915816 (CAS 5608-36-6), with molecular formula C16H19BrN2O3S and molecular weight 398.03 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00915816
Property Insights of BAS 00915816
The XLogP value of 3.3733 indicates that BAS 00915816 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 BAS 00915816. Following Lipinski's Rule of Five, BAS 00915816 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 BAS 00915816?
The CAS number of BAS 00915816 is 5608-36-6.
What is the molecular formula of BAS 00915816?
The molecular formula of BAS 00915816 is C16H19BrN2O3S.
What is the molecular weight of BAS 00915816?
The molecular weight of BAS 00915816 is 398.03 g/mol.
Where can I buy BAS 00915816?
You can request a quote for BAS 00915816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915816?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.