Sclerominol
TL;DR: Sclerominol (CAS 500876-24-4) is a chemical compound with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-benzylidene-1-hydroxypyrazine-2,6-dione
Also Known As: Sclerominol, (5Z)-3-benzyl-5-benzylidene-1-hydroxypyrazine-2,6-dione, 5-Benzyl-3-benzylidene-1-hydroxy-3H-pyrazine-2,6-dione, (3Z)-5-Benzyl-3-benzylidene-1-hydroxypyrazine-2,6(1H,3H)-dione, 2,6(1H,3H)-Pyrazinedione, 1-hydroxy-5-(phenylmethyl)-3-(phenylmethylene)-, (3Z)-
| Molecular Formula | C18H14N2O3 |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.10043 |
| Heavy Atoms | 23 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 500876-24-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=N/C(=C\C3=CC=CC=C3)/C(=O)N(C2=O)O |
| InChIKey | IXZDGSWOKFRNJQ-PTNGSMBKSA-N |
Product Overview
Sclerominol (CAS 500876-24-4), with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol. IUPAC: (5Z)-3-benzyl-5-benzylidene-1-hydroxypyrazine-2,6-dione.
Chemical Property Profile of Sclerominol
Property Insights of Sclerominol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sclerominol. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sclerominol. Following Lipinski's Rule of Five, Sclerominol has 1 hydrogen bond donor(s) and 4 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 Sclerominol?
The CAS number of Sclerominol is 500876-24-4.
What is the molecular formula of Sclerominol?
The molecular formula of Sclerominol is C18H14N2O3.
What is the molecular weight of Sclerominol?
The molecular weight of Sclerominol is 306.10 g/mol.
Where can I buy Sclerominol?
You can request a quote for Sclerominol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sclerominol?
Yes, KEHONG BIO provides custom synthesis services for Sclerominol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.