BAS 13121344
TL;DR: BAS 13121344 (CAS 586994-79-8) is a chemical compound with molecular formula C20H18FN3O3 and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
Also Known As: BAS 13121344, 5-[1-(4-Fluoro-benzylamino)-eth-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione, (5E)-5-[1-[(4-fluorophenyl)methylamino]ethylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-{1-[(4-fluorobenzyl)amino]ethylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-5-[1-[(4-fluorophenyl)methylamino]ethylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H18FN3O3 |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 2.68812 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1332 |
| Heavy Atoms | 27 |
| Complexity | 1111.1942 |
Chemical Identifiers
| CAS Number | 586994-79-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C(=NCC3=CC=C(C=C3)F)C)O |
Product Overview
BAS 13121344 (CAS 586994-79-8), with molecular formula C20H18FN3O3 and molecular weight 367.13 g/mol. IUPAC: 5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione.
Chemical Property Profile of BAS 13121344
Property Insights of BAS 13121344
The XLogP value of 2.68812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13121344. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13121344. Following Lipinski's Rule of Five, BAS 13121344 has 2 hydrogen bond donor(s) and 4 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 13121344?
The CAS number of BAS 13121344 is 586994-79-8.
What is the molecular formula of BAS 13121344?
The molecular formula of BAS 13121344 is C20H18FN3O3.
What is the molecular weight of BAS 13121344?
The molecular weight of BAS 13121344 is 367.13 g/mol.
Where can I buy BAS 13121344?
You can request a quote for BAS 13121344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13121344?
Yes, KEHONG BIO provides custom synthesis services for BAS 13121344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.