ChemDiv1_019877
TL;DR: ChemDiv1_019877 (CAS 445378-49-4) is a chemical compound with molecular formula C24H25N3O and molecular weight 371.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-1H-pyrazol-3-one
Also Known As: ChemDiv1_019877, BAS 00899367, A2031/0085304, (Z)-4-(2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-ylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, 5-methyl-2-phenyl-4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-1H-pyrazol-3-one
| Molecular Formula | C24H25N3O |
|---|---|
| Molecular Weight | 371.20 g/mol |
| LogP | 4.57042 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.19977 |
| Heavy Atoms | 28 |
| Complexity | 1098.379 |
Chemical Identifiers
| CAS Number | 445378-49-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=NC4(CCCCC4)CC5=CC=CC=C53 |
Product Overview
ChemDiv1_019877 (CAS 445378-49-4), with molecular formula C24H25N3O and molecular weight 371.20 g/mol. IUPAC: 5-methyl-2-phenyl-4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-1H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_019877
Property Insights of ChemDiv1_019877
The XLogP value of 4.57042 indicates that ChemDiv1_019877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.15 Ų, ChemDiv1_019877 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_019877 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 ChemDiv1_019877?
The CAS number of ChemDiv1_019877 is 445378-49-4.
What is the molecular formula of ChemDiv1_019877?
The molecular formula of ChemDiv1_019877 is C24H25N3O.
What is the molecular weight of ChemDiv1_019877?
The molecular weight of ChemDiv1_019877 is 371.20 g/mol.
Where can I buy ChemDiv1_019877?
You can request a quote for ChemDiv1_019877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019877?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.