UPCMLD0ENAT5763081:001
TL;DR: UPCMLD0ENAT5763081:001 (CAS 694478-05-2) is a chemical compound with molecular formula C23H16ClN3O3 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione
Also Known As: UPCMLD0ENAT5763081:001, 6-chloro-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 6-chloro-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C23H16ClN3O3 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.09162 |
| Topological Polar Surface Area | 64.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.088 |
| Heavy Atoms | 30 |
| Complexity | 1411.5984 |
Chemical Identifiers
| CAS Number | 694478-05-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C5C(=C(C=C4)Cl)C=CC=C5C3=O |
Product Overview
UPCMLD0ENAT5763081:001 (CAS 694478-05-2), with molecular formula C23H16ClN3O3 and molecular weight 417.09 g/mol. IUPAC: 6-chloro-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5763081:001
Property Insights of UPCMLD0ENAT5763081:001
The XLogP value of 4.09162 indicates that UPCMLD0ENAT5763081:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.31 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5763081:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5763081:001 has 0 hydrogen bond donor(s) and 3 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 UPCMLD0ENAT5763081:001?
The CAS number of UPCMLD0ENAT5763081:001 is 694478-05-2.
What is the molecular formula of UPCMLD0ENAT5763081:001?
The molecular formula of UPCMLD0ENAT5763081:001 is C23H16ClN3O3.
What is the molecular weight of UPCMLD0ENAT5763081:001?
The molecular weight of UPCMLD0ENAT5763081:001 is 417.09 g/mol.
Where can I buy UPCMLD0ENAT5763081:001?
You can request a quote for UPCMLD0ENAT5763081:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5763081:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5763081:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.