BAS 00040572
TL;DR: BAS 00040572 (CAS 299965-52-9) is a chemical compound with molecular formula C17H13N5O4 and molecular weight 351.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]benzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00040572, 2-((1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)amino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-(2,5-Dimethyl-4-nitro-2H-pyrazol-3-ylamino)-benzo[de]isoquinoline-1,3-dione, 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)amino]-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C17H13N5O4 |
|---|---|
| Molecular Weight | 351.10 g/mol |
| LogP | 2.41302 |
| Topological Polar Surface Area | 110.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.09674 |
| Heavy Atoms | 26 |
| Complexity | 1067.0339 |
Chemical Identifiers
| CAS Number | 299965-52-9 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C |
Product Overview
BAS 00040572 (CAS 299965-52-9), with molecular formula C17H13N5O4 and molecular weight 351.10 g/mol. IUPAC: 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of BAS 00040572
Property Insights of BAS 00040572
The XLogP value of 2.41302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00040572. The TPSA of 110.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00040572. Following Lipinski's Rule of Five, BAS 00040572 has 1 hydrogen bond donor(s) and 6 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 BAS 00040572?
The CAS number of BAS 00040572 is 299965-52-9.
What is the molecular formula of BAS 00040572?
The molecular formula of BAS 00040572 is C17H13N5O4.
What is the molecular weight of BAS 00040572?
The molecular weight of BAS 00040572 is 351.10 g/mol.
Where can I buy BAS 00040572?
You can request a quote for BAS 00040572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00040572?
Yes, KEHONG BIO provides custom synthesis services for BAS 00040572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.