BAS 00553039
TL;DR: BAS 00553039 (CAS 418808-86-3) is a chemical compound with molecular formula C19H25BrN2O5 and molecular weight 440.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00553039, 3-methylbutyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 3-methylbutyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate, isopentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 3-methylbutyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,3,6-t rihydropyrimidine-5-carboxylate
| Molecular Formula | C19H25BrN2O5 |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 3.7227 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.09467 |
| Heavy Atoms | 27 |
| Complexity | 775.60864 |
Chemical Identifiers
| CAS Number | 418808-86-3 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCCC(C)C |
Product Overview
BAS 00553039 (CAS 418808-86-3), with molecular formula C19H25BrN2O5 and molecular weight 440.09 g/mol. IUPAC: 3-methylbutyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00553039
Property Insights of BAS 00553039
The XLogP value of 3.7227 indicates that BAS 00553039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00553039. Following Lipinski's Rule of Five, BAS 00553039 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 00553039?
The CAS number of BAS 00553039 is 418808-86-3.
What is the molecular formula of BAS 00553039?
The molecular formula of BAS 00553039 is C19H25BrN2O5.
What is the molecular weight of BAS 00553039?
The molecular weight of BAS 00553039 is 440.09 g/mol.
Where can I buy BAS 00553039?
You can request a quote for BAS 00553039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00553039?
Yes, KEHONG BIO provides custom synthesis services for BAS 00553039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.