Einecs 237-670-0
TL;DR: Einecs 237-670-0 (CAS 13900-05-5) is a chemical compound with molecular formula C23H24N4O4 and molecular weight 420.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2-phenylpyrazol-3-one;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Antipyrine mixture with phenobarbital, KST-1B0421, Barbituric acid, 5-ethyl-5-phenyl-, compd. with antipyrine, 1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one- 5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione(1:1), 1,5-Dimethyl-2-phenylpyrazol-3-one;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C23H24N4O4 |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | 2.18 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.17975 |
| Heavy Atoms | 31 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 13900-05-5 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CC1=CC(=O)N(N1C)C2=CC=CC=C2 |
| InChIKey | JQQIQZVQNHKNJI-UHFFFAOYSA-N |
Product Overview
Einecs 237-670-0 (CAS 13900-05-5), with molecular formula C23H24N4O4 and molecular weight 420.18 g/mol. IUPAC: 1,5-dimethyl-2-phenylpyrazol-3-one;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Einecs 237-670-0
Property Insights of Einecs 237-670-0
The XLogP value of 2.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 237-670-0. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 237-670-0. Following Lipinski's Rule of Five, Einecs 237-670-0 has 2 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 Einecs 237-670-0?
The CAS number of Einecs 237-670-0 is 13900-05-5.
What is the molecular formula of Einecs 237-670-0?
The molecular formula of Einecs 237-670-0 is C23H24N4O4.
What is the molecular weight of Einecs 237-670-0?
The molecular weight of Einecs 237-670-0 is 420.18 g/mol.
Where can I buy Einecs 237-670-0?
You can request a quote for Einecs 237-670-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 237-670-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 237-670-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.