5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 396722-10-4) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzimidazol-2-ylidenemethyl)-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-5-((1H-benzo[d]imidazol-2-yl)methylene)-1-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 1.04889 |
| Topological Polar Surface Area | 82.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 993.7287 |
Chemical Identifiers
| CAS Number | 396722-10-4 |
|---|---|
| SMILES | C=CCN1C(=C(C(=O)NC1=S)C=C2N=C3C=CC=CC3=N2)O |
Product Overview
5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 396722-10-4), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: 5-(benzimidazol-2-ylidenemethyl)-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.04889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 82.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 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 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 396722-10-4.
What is the molecular formula of 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C15H12N4O2S.
What is the molecular weight of 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 312.07 g/mol.
Where can I buy 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-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-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.