BAS 00648578
TL;DR: BAS 00648578 (CAS 314052-47-6) is a chemical compound with molecular formula C18H23ClN2O3 and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00648578, pentyl 4-(4-chlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, pentyl 6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,3,6-trihydropyrimidine-5-carbox ylate, pentyl 6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C18H23ClN2O3 |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 4.0435 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.1397 |
| Heavy Atoms | 24 |
| Complexity | 640.1689 |
Chemical Identifiers
| CAS Number | 314052-47-6 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Cl)C)C |
Product Overview
BAS 00648578 (CAS 314052-47-6), with molecular formula C18H23ClN2O3 and molecular weight 350.14 g/mol. IUPAC: pentyl 6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00648578
Property Insights of BAS 00648578
The XLogP value of 4.0435 indicates that BAS 00648578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 00648578 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00648578 has 1 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 00648578?
The CAS number of BAS 00648578 is 314052-47-6.
What is the molecular formula of BAS 00648578?
The molecular formula of BAS 00648578 is C18H23ClN2O3.
What is the molecular weight of BAS 00648578?
The molecular weight of BAS 00648578 is 350.14 g/mol.
Where can I buy BAS 00648578?
You can request a quote for BAS 00648578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00648578?
Yes, KEHONG BIO provides custom synthesis services for BAS 00648578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.