RefChem:1072031
TL;DR: RefChem:1072031 (CAS 76834-45-2) is a chemical compound with molecular formula C15H14N4OS and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-benzylidene-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylimidazol-4-one
Also Known As: 3-(5-Ethyl-1,3,4-thiadiazol-2-yl)-3,5-dihydro-2-methyl-5-(phenylmethylene)-4H-imidazol-4-one, 4H-Imidazol-4-one, 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dihydro-2-methyl-5-(phenylmethylene)-, (5Z)-5-benzylidene-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylimidazol-4-one, 4H-IMIDAZOL-4-ONE, 3-(5-ETHYL-1,3,4-THIADIAZOL-2-YL)-3,5-DIHYDRO-2-METHYL-5-(PHE, RefChem:1072031
| Molecular Formula | C15H14N4OS |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 2.9066 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.08884 |
| Heavy Atoms | 21 |
| Complexity | 733.1417 |
Chemical Identifiers
| CAS Number | 76834-45-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=CC=C3)/C2=O)C |
Product Overview
RefChem:1072031 (CAS 76834-45-2), with molecular formula C15H14N4OS and molecular weight 298.09 g/mol. IUPAC: (5Z)-5-benzylidene-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylimidazol-4-one.
Chemical Property Profile of RefChem:1072031
Property Insights of RefChem:1072031
The XLogP value of 2.9066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072031. With a topological polar surface area (TPSA) of 58.45 Ų, RefChem:1072031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1072031 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:1072031?
The CAS number of RefChem:1072031 is 76834-45-2.
What is the molecular formula of RefChem:1072031?
The molecular formula of RefChem:1072031 is C15H14N4OS.
What is the molecular weight of RefChem:1072031?
The molecular weight of RefChem:1072031 is 298.09 g/mol.
Where can I buy RefChem:1072031?
You can request a quote for RefChem:1072031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072031?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.