A3562/0151114
TL;DR: A3562/0151114 (CAS 1005280-65-8) is a chemical compound with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-7-(2-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: A3562/0151114, 2-(4-chlorophenyl)-9-(2-methoxyphenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 2-(4-chlorophenyl)-9-(2-methoxyphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C21H20ClN3O3 |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.8842 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.11932 |
| Heavy Atoms | 28 |
| Complexity | 948.16693 |
Chemical Identifiers
| CAS Number | 1005280-65-8 |
|---|---|
| SMILES | COC1=CC=CC=C1C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)N5N2CCC5 |
Product Overview
A3562/0151114 (CAS 1005280-65-8), with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol. IUPAC: 4-(4-chlorophenyl)-7-(2-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of A3562/0151114
Property Insights of A3562/0151114
The XLogP value of 2.8842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3562/0151114. With a topological polar surface area (TPSA) of 53.09 Ų, A3562/0151114 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3562/0151114 has 0 hydrogen bond donor(s) and 5 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 A3562/0151114?
The CAS number of A3562/0151114 is 1005280-65-8.
What is the molecular formula of A3562/0151114?
The molecular formula of A3562/0151114 is C21H20ClN3O3.
What is the molecular weight of A3562/0151114?
The molecular weight of A3562/0151114 is 397.12 g/mol.
Where can I buy A3562/0151114?
You can request a quote for A3562/0151114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3562/0151114?
Yes, KEHONG BIO provides custom synthesis services for A3562/0151114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.