BAS 00915712
TL;DR: BAS 00915712 (CAS 5604-18-2) is a chemical compound with molecular formula C15H17BrN2O3S and molecular weight 384.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00915712, 2-methylsulfanylethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2-(methylsulfanyl)ethyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(methylthio)ethyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2-methylthioethyl 6-(3-bromophenyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5- carboxylate
| Molecular Formula | C15H17BrN2O3S |
|---|---|
| Molecular Weight | 384.01 g/mol |
| LogP | 2.9832 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.01434 |
| Heavy Atoms | 22 |
| Complexity | 618.56006 |
Chemical Identifiers
| CAS Number | 5604-18-2 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OCCSC |
Product Overview
BAS 00915712 (CAS 5604-18-2), with molecular formula C15H17BrN2O3S and molecular weight 384.01 g/mol. IUPAC: 2-methylsulfanylethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00915712
Property Insights of BAS 00915712
The XLogP value of 2.9832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00915712. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00915712. Following Lipinski's Rule of Five, BAS 00915712 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 00915712?
The CAS number of BAS 00915712 is 5604-18-2.
What is the molecular formula of BAS 00915712?
The molecular formula of BAS 00915712 is C15H17BrN2O3S.
What is the molecular weight of BAS 00915712?
The molecular weight of BAS 00915712 is 384.01 g/mol.
Where can I buy BAS 00915712?
You can request a quote for BAS 00915712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915712?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.