A3616/0153332
TL;DR: A3616/0153332 (CAS 1005100-42-4) is a chemical compound with molecular formula C20H16Cl2FN3O2 and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dichlorophenyl)-7-(4-fluorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: A3616/0153332, 2-(3,5-dichlorophenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 2-(3,5-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C20H16Cl2FN3O2 |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 3.6681 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.06036 |
| Heavy Atoms | 28 |
| Complexity | 963.66614 |
Chemical Identifiers
| CAS Number | 1005100-42-4 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl)C5=CC=C(C=C5)F |
Product Overview
A3616/0153332 (CAS 1005100-42-4), with molecular formula C20H16Cl2FN3O2 and molecular weight 419.06 g/mol. IUPAC: 4-(3,5-dichlorophenyl)-7-(4-fluorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of A3616/0153332
Property Insights of A3616/0153332
The XLogP value of 3.6681 indicates that A3616/0153332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, A3616/0153332 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3616/0153332 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 A3616/0153332?
The CAS number of A3616/0153332 is 1005100-42-4.
What is the molecular formula of A3616/0153332?
The molecular formula of A3616/0153332 is C20H16Cl2FN3O2.
What is the molecular weight of A3616/0153332?
The molecular weight of A3616/0153332 is 419.06 g/mol.
Where can I buy A3616/0153332?
You can request a quote for A3616/0153332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3616/0153332?
Yes, KEHONG BIO provides custom synthesis services for A3616/0153332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.