ChemDiv1_024123
TL;DR: ChemDiv1_024123 (CAS 473576-93-1) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: ChemDiv1_024123, BAS 01201659, BIM-0031592.P001, 9-phenyl-2-(p-tolyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 7-Phenyl-2-p-tolyl-tetrahydro-2,3b,6a-triaza-cyclopenta[a]pentalene-1,3-dione
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 2.53062 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 864.5847 |
Chemical Identifiers
| CAS Number | 473576-93-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_024123 (CAS 473576-93-1), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 4-(4-methylphenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of ChemDiv1_024123
Property Insights of ChemDiv1_024123
The XLogP value of 2.53062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024123. With a topological polar surface area (TPSA) of 43.86 Ų, ChemDiv1_024123 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_024123 has 0 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 ChemDiv1_024123?
The CAS number of ChemDiv1_024123 is 473576-93-1.
What is the molecular formula of ChemDiv1_024123?
The molecular formula of ChemDiv1_024123 is C21H21N3O2.
What is the molecular weight of ChemDiv1_024123?
The molecular weight of ChemDiv1_024123 is 347.16 g/mol.
Where can I buy ChemDiv1_024123?
You can request a quote for ChemDiv1_024123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024123?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.