Einecs 251-124-9
TL;DR: Einecs 251-124-9 (CAS 32597-38-9) is a chemical compound with molecular formula C18H23N3O and molecular weight 297.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bicyclo[2.2.1]heptanylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-(2-Norbornylamino)antipyrine, Antipyrine, 4-(2-norbornylamino)-, 4-(3-bicyclo[2.2.1]heptanylamino)-1,5-dimethyl-2-phenylpyrazol-3-one, 4-(bicyclo[2.2.1]hept-2-ylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one, 4-({bicyclo[2.2.1]heptan-2-yl}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C18H23N3O |
|---|---|
| Molecular Weight | 297.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1841 |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 32597-38-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3CC4CCC3C4 |
| InChIKey | UQIQPBXSAGXWTO-UHFFFAOYSA-N |
Product Overview
Einecs 251-124-9 (CAS 32597-38-9), with molecular formula C18H23N3O and molecular weight 297.18 g/mol. IUPAC: 4-(2-bicyclo[2.2.1]heptanylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of Einecs 251-124-9
Property Insights of Einecs 251-124-9
The XLogP value of 3.9 indicates that Einecs 251-124-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, Einecs 251-124-9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 251-124-9 has 1 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 Einecs 251-124-9?
The CAS number of Einecs 251-124-9 is 32597-38-9.
What is the molecular formula of Einecs 251-124-9?
The molecular formula of Einecs 251-124-9 is C18H23N3O.
What is the molecular weight of Einecs 251-124-9?
The molecular weight of Einecs 251-124-9 is 297.18 g/mol.
Where can I buy Einecs 251-124-9?
You can request a quote for Einecs 251-124-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 251-124-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 251-124-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.