5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione
TL;DR: 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione (CAS 53215-61-5) is a chemical compound with molecular formula C13H9N3O2S and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-[(1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione
| Molecular Formula | C13H9N3O2S |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.04153 |
| Heavy Atoms | 19 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 53215-61-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=C(NC(=S)NC3=O)O)C=N2 |
| InChIKey | IMNZTFWQMZGNCI-UHFFFAOYSA-N |
Product Overview
5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione (CAS 53215-61-5), with molecular formula C13H9N3O2S and molecular weight 271.04 g/mol. IUPAC: 6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione
Property Insights of 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione. Following Lipinski's Rule of Five, 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione has 3 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 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione?
The CAS number of 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione is 53215-61-5.
What is the molecular formula of 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione?
The molecular formula of 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione is C13H9N3O2S.
What is the molecular weight of 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione?
The molecular weight of 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione is 271.04 g/mol.
Where can I buy 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione?
You can request a quote for 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.