RefChem:1071918
TL;DR: RefChem:1071918 (CAS 76834-50-9) is a chemical compound with molecular formula C16H16N4OS and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-benzylidene-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Also Known As: 2-Methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)-5-benzylidene-3,5-dihydroimidazol-4-one, 4H-Imidazol-4-one, 3,5-dihydro-2-methyl-5-(phenylmethylene)-3-(5-propyl-1,3,4-thiadiazol-2-yl)-, (5Z)-5-benzylidene-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazol-4-one, RefChem:1071918
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.2967 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 748.5161 |
Chemical Identifiers
| CAS Number | 76834-50-9 |
|---|---|
| SMILES | CCCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=CC=C3)/C2=O)C |
Product Overview
RefChem:1071918 (CAS 76834-50-9), with molecular formula C16H16N4OS and molecular weight 312.10 g/mol. IUPAC: (5Z)-5-benzylidene-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazol-4-one.
Chemical Property Profile of RefChem:1071918
Property Insights of RefChem:1071918
The XLogP value of 3.2967 indicates that RefChem:1071918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.45 Ų, RefChem:1071918 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071918 has 0 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 RefChem:1071918?
The CAS number of RefChem:1071918 is 76834-50-9.
What is the molecular formula of RefChem:1071918?
The molecular formula of RefChem:1071918 is C16H16N4OS.
What is the molecular weight of RefChem:1071918?
The molecular weight of RefChem:1071918 is 312.10 g/mol.
Where can I buy RefChem:1071918?
You can request a quote for RefChem:1071918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071918?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.