ChemDiv1_024167
TL;DR: ChemDiv1_024167 (CAS 473576-99-7) 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.
7-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: ChemDiv1_024167, BAS 05014543, BIM-0046059.P001, 9-(4-chlorophenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 7-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.0<2,6>]undec ane-3,5-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 | 930.91693 |
Chemical Identifiers
| CAS Number | 473576-99-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_024167 (CAS 473576-99-7), with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol. IUPAC: 7-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of ChemDiv1_024167
Property Insights of ChemDiv1_024167
The XLogP value of 2.8842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024167. With a topological polar surface area (TPSA) of 53.09 Ų, ChemDiv1_024167 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_024167 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 ChemDiv1_024167?
The CAS number of ChemDiv1_024167 is 473576-99-7.
What is the molecular formula of ChemDiv1_024167?
The molecular formula of ChemDiv1_024167 is C21H20ClN3O3.
What is the molecular weight of ChemDiv1_024167?
The molecular weight of ChemDiv1_024167 is 397.12 g/mol.
Where can I buy ChemDiv1_024167?
You can request a quote for ChemDiv1_024167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024167?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.