BAS 13121056
TL;DR: BAS 13121056 (CAS 6609-95-6) is a chemical compound with molecular formula C16H11FN4O3S and molecular weight 358.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(4-fluorophenyl)-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BAS 13121056, (5Z)-1-(4-fluorophenyl)-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione, 1-(4-fluorophenyl)-5-{[2-(methylthio)-5-pyrimidinyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione, (5Z)-1-(4-Fluorophenyl)-5-{[2-(methylsulfanyl)pyrimidin-5-yl]methylidene}-1,3-diazinane-2,4,6-trione, (5Z)-1-(4-fluorophenyl)-5-{[2-(methylsulfanyl)pyrimidin-5-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C16H11FN4O3S |
|---|---|
| Molecular Weight | 358.05 g/mol |
| LogP | 2.004 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.0536 |
| Heavy Atoms | 25 |
| Complexity | 881.25775 |
Chemical Identifiers
| CAS Number | 6609-95-6 |
|---|---|
| SMILES | CSC1=NC=C(C=N1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F |
Product Overview
BAS 13121056 (CAS 6609-95-6), with molecular formula C16H11FN4O3S and molecular weight 358.05 g/mol. IUPAC: (5Z)-1-(4-fluorophenyl)-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BAS 13121056
Property Insights of BAS 13121056
The XLogP value of 2.004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13121056. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13121056. Following Lipinski's Rule of Five, BAS 13121056 has 1 hydrogen bond donor(s) and 6 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 13121056?
The CAS number of BAS 13121056 is 6609-95-6.
What is the molecular formula of BAS 13121056?
The molecular formula of BAS 13121056 is C16H11FN4O3S.
What is the molecular weight of BAS 13121056?
The molecular weight of BAS 13121056 is 358.05 g/mol.
Where can I buy BAS 13121056?
You can request a quote for BAS 13121056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13121056?
Yes, KEHONG BIO provides custom synthesis services for BAS 13121056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.