(5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione (CAS 374086-14-3) is a chemical compound with molecular formula C21H18N4O5S and molecular weight 438.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzimidazol-2-ylidenemethyl)-6-hydroxy-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)pyrimidin-4-one
Also Known As: (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanyl-1-(3,4,5-trimethoxyphenyl)pyrimidine-4,6(1H,5H)-dione, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione, (Z)-5-((1H-benzo[d]imidazol-2-yl)methylene)-2-thioxo-1-(3,4,5-trimethoxyphenyl)dihydropyrimidine-4,6(1H,5H)-dione, 5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione
| Molecular Formula | C21H18N4O5S |
|---|---|
| Molecular Weight | 438.10 g/mol |
| LogP | 1.87789 |
| Topological Polar Surface Area | 110.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.0998 |
| Heavy Atoms | 31 |
| Complexity | 1393.8077 |
Chemical Identifiers
| CAS Number | 374086-14-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)N2C(=C(C(=O)NC2=S)C=C3N=C4C=CC=CC4=N3)O |
Product Overview
(5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione (CAS 374086-14-3), with molecular formula C21H18N4O5S and molecular weight 438.10 g/mol. IUPAC: 5-(benzimidazol-2-ylidenemethyl)-6-hydroxy-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)pyrimidin-4-one.
Chemical Property Profile of (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione
The XLogP value of 1.87789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione. The TPSA of 110.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 8 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 (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione is 374086-14-3.
What is the molecular formula of (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione is C21H18N4O5S.
What is the molecular weight of (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione is 438.10 g/mol.
Where can I buy (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-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 (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.