methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate
TL;DR: methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate (CAS 16135-25-4) is a chemical compound with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate
Also Known As: methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate, methyl 6-oxo-3-phenyl-2-(phenylamino)-3,6-dihydropyrimidine-4-carboxylate, 1,2,3,6-Tetrahydro-6-oxo-3-phenyl-2-(phenylimino)-4-pyrimidinecarboxylic acid methyl ester, Methyl (2E)-6-oxo-3-phenyl-2-(phenylimino)-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate, Methyl (2E)-6-oxo-3-phenyl-2-(phenylimino)-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate #
| Molecular Formula | C18H15N3O3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.11133 |
| Heavy Atoms | 24 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 16135-25-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)N=C(N1C2=CC=CC=C2)NC3=CC=CC=C3 |
| InChIKey | VQNABARTZURKIZ-UHFFFAOYSA-N |
Product Overview
methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate (CAS 16135-25-4), with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol. IUPAC: methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate.
Chemical Property Profile of methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate
Property Insights of methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate. Following Lipinski's Rule of Five, methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate 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 methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate?
The CAS number of methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate is 16135-25-4.
What is the molecular formula of methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate?
The molecular formula of methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate is C18H15N3O3.
What is the molecular weight of methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate?
The molecular weight of methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate is 321.11 g/mol.
Where can I buy methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate?
You can request a quote for methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-anilino-6-oxo-3-phenylpyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.