依诺昔酮
TL;DR: 依诺昔酮 (CAS 77671-31-9) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依诺昔酮
4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one
Also Known As: ENOXIMONE, Perfan, Fenoximone, Enoximona, Enoximonum
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 371.0 |
| Melting Point | 256 |
| Solubility | 6.82e-02 g/L |
Chemical Identifiers
| CAS Number | 77671-31-9 |
|---|---|
| SMILES | CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC |
| InChIKey | ZJKNESGOIKRXQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依诺昔酮 (CAS 77671-31-9), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one.
Chemical Property Profile of 依诺昔酮
Property Insights of 依诺昔酮
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 依诺昔酮. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 依诺昔酮. Following Lipinski's Rule of Five, 依诺昔酮 has 2 hydrogen bond donor(s) and 3 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 依诺昔酮?
The CAS number of 依诺昔酮 is 77671-31-9.
What is the molecular formula of 依诺昔酮?
The molecular formula of 依诺昔酮 is C12H12N2O2S.
What is the molecular weight of 依诺昔酮?
The molecular weight of 依诺昔酮 is 248.06 g/mol.
Where can I buy 依诺昔酮?
You can request a quote for 依诺昔酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依诺昔酮?
Yes, KEHONG BIO provides custom synthesis services for 依诺昔酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.