BAS 00087261
TL;DR: BAS 00087261 (CAS 5468-30-4) is a chemical compound with molecular formula C17H22N2O3 and molecular weight 302.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00087261, pentyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, pentyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate, pentyl 4-methyl-2-oxo-6-phenyl-1,3,6-trihydropyrimidine-5-carboxylate, pentyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C17H22N2O3 |
|---|---|
| Molecular Weight | 302.16 g/mol |
| LogP | 3.0479 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.16306 |
| Heavy Atoms | 22 |
| Complexity | 566.5266 |
Chemical Identifiers
| CAS Number | 5468-30-4 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C |
Product Overview
BAS 00087261 (CAS 5468-30-4), with molecular formula C17H22N2O3 and molecular weight 302.16 g/mol. IUPAC: pentyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00087261
Property Insights of BAS 00087261
The XLogP value of 3.0479 indicates that BAS 00087261 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 00087261. Following Lipinski's Rule of Five, BAS 00087261 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 00087261?
The CAS number of BAS 00087261 is 5468-30-4.
What is the molecular formula of BAS 00087261?
The molecular formula of BAS 00087261 is C17H22N2O3.
What is the molecular weight of BAS 00087261?
The molecular weight of BAS 00087261 is 302.16 g/mol.
Where can I buy BAS 00087261?
You can request a quote for BAS 00087261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00087261?
Yes, KEHONG BIO provides custom synthesis services for BAS 00087261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.