11E-408S
TL;DR: 11E-408S (CAS 79481-69-9) is a chemical compound with molecular formula C16H14N2O and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2,4-diphenyl-1H-pyrazol-3-one
Also Known As: 3-methyl-1,4-diphenyl-1H-pyrazol-5-ol, 5-methyl-2,4-diphenyl-1H-pyrazol-3-one, 5-Methyl-2,4-diphenyl-1H-pyrazol-3(2H)-one, 5-methyl-2,4-diphenyl-1,2-dihydro-3H-pyrazol-3-one, 1,4-diphenyl-3-methyl-5-pyrazolone
| Molecular Formula | C16H14N2O |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.11061 |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 79481-69-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | FXFVSEKKXOPNRA-UHFFFAOYSA-N |
Product Overview
11E-408S (CAS 79481-69-9), with molecular formula C16H14N2O and molecular weight 250.11 g/mol. IUPAC: 5-methyl-2,4-diphenyl-1H-pyrazol-3-one.
Chemical Property Profile of 11E-408S
Property Insights of 11E-408S
The XLogP value of 3.5 indicates that 11E-408S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 11E-408S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11E-408S has 1 hydrogen bond donor(s) and 2 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 11E-408S?
The CAS number of 11E-408S is 79481-69-9.
What is the molecular formula of 11E-408S?
The molecular formula of 11E-408S is C16H14N2O.
What is the molecular weight of 11E-408S?
The molecular weight of 11E-408S is 250.11 g/mol.
Where can I buy 11E-408S?
You can request a quote for 11E-408S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-408S?
Yes, KEHONG BIO provides custom synthesis services for 11E-408S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.