BAS 00087259
TL;DR: BAS 00087259 (CAS 300667-76-9) is a chemical compound with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00087259, 1-benzyl-5-nitro-1h-3-indolecarbaldehyde, pentyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, pentyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetra, pentyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C18H22N2O5 |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 2.7766 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.15286 |
| Heavy Atoms | 25 |
| Complexity | 713.418 |
Chemical Identifiers
| CAS Number | 300667-76-9 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C |
Product Overview
BAS 00087259 (CAS 300667-76-9), with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol. IUPAC: pentyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00087259
Property Insights of BAS 00087259
The XLogP value of 2.7766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00087259. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00087259. Following Lipinski's Rule of Five, BAS 00087259 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 00087259?
The CAS number of BAS 00087259 is 300667-76-9.
What is the molecular formula of BAS 00087259?
The molecular formula of BAS 00087259 is C18H22N2O5.
What is the molecular weight of BAS 00087259?
The molecular weight of BAS 00087259 is 346.15 g/mol.
Where can I buy BAS 00087259?
You can request a quote for BAS 00087259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00087259?
Yes, KEHONG BIO provides custom synthesis services for BAS 00087259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.