RefChem:1072006
TL;DR: RefChem:1072006 (CAS 76834-41-8) is a chemical compound with molecular formula C14H11ClN4OS and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-chlorophenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Also Known As: 2-Methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-chlorobenzylidene)-3,5-dihydroimidazol-4-one, 4H-Imidazol-4-one, 3,5-dihydro-5-((4-chlorophenyl)methylene)-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-, (5Z)-5-[(4-chlorophenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one, RefChem:1072006
| Molecular Formula | C14H11ClN4OS |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 3.30602 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.0342 |
| Heavy Atoms | 21 |
| Complexity | 763.53613 |
Chemical Identifiers
| CAS Number | 76834-41-8 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)N1C3=NN=C(S3)C |
Product Overview
RefChem:1072006 (CAS 76834-41-8), with molecular formula C14H11ClN4OS and molecular weight 318.03 g/mol. IUPAC: (5Z)-5-[(4-chlorophenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one.
Chemical Property Profile of RefChem:1072006
Property Insights of RefChem:1072006
The XLogP value of 3.30602 indicates that RefChem:1072006 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:1072006 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1072006 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:1072006?
The CAS number of RefChem:1072006 is 76834-41-8.
What is the molecular formula of RefChem:1072006?
The molecular formula of RefChem:1072006 is C14H11ClN4OS.
What is the molecular weight of RefChem:1072006?
The molecular weight of RefChem:1072006 is 318.03 g/mol.
Where can I buy RefChem:1072006?
You can request a quote for RefChem:1072006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072006?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.