BAS 00101186
TL;DR: BAS 00101186 (CAS 301317-58-8) is a chemical compound with molecular formula C19H23BrN2O3 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylcyclohexyl) 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00101186, 3-Methylcyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, (3-methylcyclohexyl) 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 3-Methylcyclohexyl4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 3-methyl-cyclohexyl ester
| Molecular Formula | C19H23BrN2O3 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 4.1989 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0892 |
| Heavy Atoms | 25 |
| Complexity | 716.3757 |
Chemical Identifiers
| CAS Number | 301317-58-8 |
|---|---|
| SMILES | CC1CCCC(C1)OC(=O)C2=C(NC(=O)NC2C3=CC=CC=C3Br)C |
Product Overview
BAS 00101186 (CAS 301317-58-8), with molecular formula C19H23BrN2O3 and molecular weight 406.09 g/mol. IUPAC: (3-methylcyclohexyl) 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00101186
Property Insights of BAS 00101186
The XLogP value of 4.1989 indicates that BAS 00101186 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 00101186. Following Lipinski's Rule of Five, BAS 00101186 has 2 hydrogen bond donor(s) and 3 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 00101186?
The CAS number of BAS 00101186 is 301317-58-8.
What is the molecular formula of BAS 00101186?
The molecular formula of BAS 00101186 is C19H23BrN2O3.
What is the molecular weight of BAS 00101186?
The molecular weight of BAS 00101186 is 406.09 g/mol.
Where can I buy BAS 00101186?
You can request a quote for BAS 00101186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00101186?
Yes, KEHONG BIO provides custom synthesis services for BAS 00101186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.