(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 373372-79-3) is a chemical compound with molecular formula C18H11ClN4O2S and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzimidazol-2-ylidenemethyl)-1-(2-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-5-((1H-benzo[d]imidazol-2-yl)methylene)-1-(2-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H11ClN4O2S |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 2.50549 |
| Topological Polar Surface Area | 82.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.0291 |
| Heavy Atoms | 26 |
| Complexity | 1270.742 |
Chemical Identifiers
| CAS Number | 373372-79-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=C(C(=O)NC2=S)C=C3N=C4C=CC=CC4=N3)O)Cl |
Product Overview
(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 373372-79-3), with molecular formula C18H11ClN4O2S and molecular weight 382.03 g/mol. IUPAC: 5-(benzimidazol-2-ylidenemethyl)-1-(2-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.50549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-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 (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-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 (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 373372-79-3.
What is the molecular formula of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C18H11ClN4O2S.
What is the molecular weight of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 382.03 g/mol.
Where can I buy (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-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 (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.