BAS 00111563
TL;DR: BAS 00111563 (CAS 300360-05-8) is a chemical compound with molecular formula C19H23BrN2O5 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00111563, 2-Ethylbutyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-ethylbutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2-Ethylbutyl4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 4-(6-Bromo-benzo[1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-ethyl-butyl ester
| Molecular Formula | C19H23BrN2O5 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 3.7851 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.07904 |
| Heavy Atoms | 27 |
| Complexity | 788.54987 |
Chemical Identifiers
| CAS Number | 300360-05-8 |
|---|---|
| SMILES | CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C |
Product Overview
BAS 00111563 (CAS 300360-05-8), with molecular formula C19H23BrN2O5 and molecular weight 438.08 g/mol. IUPAC: 2-ethylbutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00111563
Property Insights of BAS 00111563
The XLogP value of 3.7851 indicates that BAS 00111563 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00111563. Following Lipinski's Rule of Five, BAS 00111563 has 2 hydrogen bond donor(s) and 5 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 00111563?
The CAS number of BAS 00111563 is 300360-05-8.
What is the molecular formula of BAS 00111563?
The molecular formula of BAS 00111563 is C19H23BrN2O5.
What is the molecular weight of BAS 00111563?
The molecular weight of BAS 00111563 is 438.08 g/mol.
Where can I buy BAS 00111563?
You can request a quote for BAS 00111563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00111563?
Yes, KEHONG BIO provides custom synthesis services for BAS 00111563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.