RefChem:1072017
TL;DR: RefChem:1072017 (CAS 76834-53-2) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Also Known As: 4H-Imidazol-4-one, 3,5-dihydro-5-((4-hydroxy-3-methoxyphenyl)methylene)-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)-, (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazol-4-one, RefChem:1072017
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 3.0109 |
| Topological Polar Surface Area | 87.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 872.52795 |
Chemical Identifiers
| CAS Number | 76834-53-2 |
|---|---|
| SMILES | CCCC1=NN=C(S1)N2C(=N/C(=C\C3=CC(=C(C=C3)O)OC)/C2=O)C |
Product Overview
RefChem:1072017 (CAS 76834-53-2), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazol-4-one.
Chemical Property Profile of RefChem:1072017
Property Insights of RefChem:1072017
The XLogP value of 3.0109 indicates that RefChem:1072017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072017. Following Lipinski's Rule of Five, RefChem:1072017 has 1 hydrogen bond donor(s) and 7 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:1072017?
The CAS number of RefChem:1072017 is 76834-53-2.
What is the molecular formula of RefChem:1072017?
The molecular formula of RefChem:1072017 is C17H18N4O3S.
What is the molecular weight of RefChem:1072017?
The molecular weight of RefChem:1072017 is 358.11 g/mol.
Where can I buy RefChem:1072017?
You can request a quote for RefChem:1072017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072017?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.