F0168-0002
TL;DR: F0168-0002 (CAS 324045-73-0) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-6-(3-nitrophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate
Also Known As: F0168-0002, methyl 1-allyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-methyl-6-(3-nitrophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 2.2941 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 740.98334 |
Chemical Identifiers
| CAS Number | 324045-73-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
F0168-0002 (CAS 324045-73-0), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: methyl 4-methyl-6-(3-nitrophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of F0168-0002
Property Insights of F0168-0002
The XLogP value of 2.2941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0168-0002. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0168-0002. Following Lipinski's Rule of Five, F0168-0002 has 1 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 F0168-0002?
The CAS number of F0168-0002 is 324045-73-0.
What is the molecular formula of F0168-0002?
The molecular formula of F0168-0002 is C16H17N3O5.
What is the molecular weight of F0168-0002?
The molecular weight of F0168-0002 is 331.12 g/mol.
Where can I buy F0168-0002?
You can request a quote for F0168-0002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0168-0002?
Yes, KEHONG BIO provides custom synthesis services for F0168-0002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.