BAS 00666968
TL;DR: BAS 00666968 (CAS 313953-51-4) is a chemical compound with molecular formula C13H10Cl2N2O4 and molecular weight 328.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: BAS 00666968, 5-(3,5-Dichloro-2-hydroxybenzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(3,5-dichloro-2-hydroxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-(3,5-Dichloro-2-hydroxy-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione, 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C13H10Cl2N2O4 |
|---|---|
| Molecular Weight | 328.00 g/mol |
| LogP | 2.1328 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.00177 |
| Heavy Atoms | 21 |
| Complexity | 673.65686 |
Chemical Identifiers
| CAS Number | 313953-51-4 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=C(C(=CC(=C2)Cl)Cl)O)C(=O)N(C1=O)C |
Product Overview
BAS 00666968 (CAS 313953-51-4), with molecular formula C13H10Cl2N2O4 and molecular weight 328.00 g/mol. IUPAC: 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BAS 00666968
Property Insights of BAS 00666968
The XLogP value of 2.1328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00666968. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00666968. Following Lipinski's Rule of Five, BAS 00666968 has 1 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 00666968?
The CAS number of BAS 00666968 is 313953-51-4.
What is the molecular formula of BAS 00666968?
The molecular formula of BAS 00666968 is C13H10Cl2N2O4.
What is the molecular weight of BAS 00666968?
The molecular weight of BAS 00666968 is 328.00 g/mol.
Where can I buy BAS 00666968?
You can request a quote for BAS 00666968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00666968?
Yes, KEHONG BIO provides custom synthesis services for BAS 00666968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.