1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid
TL;DR: 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid (CAS 58470-74-9) is a chemical compound with molecular formula C23H17N3O3S and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,3-dimethyl-5-(6-phenylsulfanylbenzo[cd]indol-2-yl)pyrimidine-2,4-dione
Also Known As: 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid, 1,3-dimethyl-5-[6-(phenylthio)benz[cd]indol-2(1H)-ylidene]barbituric acid, 1,3-dimethyl-5-(6-phenylsulfanyl-1H-benzo[cd]indol-2-ylidene)-1,3-diazinane-2,4,6-trione, 1,3-Dimethyl-5-[6-(phenylsulfanyl)benzo[cd]indol-2(1H)-ylidene]-1,3-diazinane-2,4,6-trione, 1,3-Dimethyl-5-[6-(phenylthio)benz[cd]indol-2(1H)-ylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C23H17N3O3S |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.09906 |
| Heavy Atoms | 30 |
| Complexity | 804.0 |
Chemical Identifiers
| CAS Number | 58470-74-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C2=NC3=C4C2=CC=CC4=C(C=C3)SC5=CC=CC=C5)O |
| InChIKey | FPSFVDSMPKJDAK-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid (CAS 58470-74-9), with molecular formula C23H17N3O3S and molecular weight 415.10 g/mol. IUPAC: 6-hydroxy-1,3-dimethyl-5-(6-phenylsulfanylbenzo[cd]indol-2-yl)pyrimidine-2,4-dione.
Chemical Property Profile of 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid
Property Insights of 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid
The XLogP value of 3.9 indicates that 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid 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 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid?
The CAS number of 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid is 58470-74-9.
What is the molecular formula of 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid?
The molecular formula of 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid is C23H17N3O3S.
What is the molecular weight of 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid?
The molecular weight of 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid is 415.10 g/mol.
Where can I buy 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid?
You can request a quote for 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-(6-(phenylthio)benz(cd)indol-2(1H)-ylidene)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.