ChemDiv1_024211
TL;DR: ChemDiv1_024211 (CAS 495402-90-9) is a chemical compound with molecular formula C22H23N3O2 and molecular weight 361.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylphenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: ChemDiv1_024211, BIM-0046144.P001, AO-081/15246789, 2-(2,5-dimethylphenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(2,5-dimethylphenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C22H23N3O2 |
|---|---|
| Molecular Weight | 361.18 g/mol |
| LogP | 2.83904 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.17902 |
| Heavy Atoms | 27 |
| Complexity | 926.41003 |
Chemical Identifiers
| CAS Number | 495402-90-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_024211 (CAS 495402-90-9), with molecular formula C22H23N3O2 and molecular weight 361.18 g/mol. IUPAC: 4-(2,5-dimethylphenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of ChemDiv1_024211
Property Insights of ChemDiv1_024211
The XLogP value of 2.83904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024211. With a topological polar surface area (TPSA) of 43.86 Ų, ChemDiv1_024211 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_024211 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_024211?
The CAS number of ChemDiv1_024211 is 495402-90-9.
What is the molecular formula of ChemDiv1_024211?
The molecular formula of ChemDiv1_024211 is C22H23N3O2.
What is the molecular weight of ChemDiv1_024211?
The molecular weight of ChemDiv1_024211 is 361.18 g/mol.
Where can I buy ChemDiv1_024211?
You can request a quote for ChemDiv1_024211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024211?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.