BAS 00030676
TL;DR: BAS 00030676 (CAS 5301-17-7) is a chemical compound with molecular formula C19H14N4O5 and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitroisoindole-1,3-dione
Also Known As: BAS 00030676, BIM-0016436.P001, 2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitro-1H-isoindole-1,3(2H)-dione, 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitroisoindole-1,3-dione
| Molecular Formula | C19H14N4O5 |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 2.19322 |
| Topological Polar Surface Area | 107.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.0964 |
| Heavy Atoms | 28 |
| Complexity | 1223.1112 |
Chemical Identifiers
| CAS Number | 5301-17-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] |
Product Overview
BAS 00030676 (CAS 5301-17-7), with molecular formula C19H14N4O5 and molecular weight 378.10 g/mol. IUPAC: 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitroisoindole-1,3-dione.
Chemical Property Profile of BAS 00030676
Property Insights of BAS 00030676
The XLogP value of 2.19322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00030676. The TPSA of 107.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00030676. Following Lipinski's Rule of Five, BAS 00030676 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 BAS 00030676?
The CAS number of BAS 00030676 is 5301-17-7.
What is the molecular formula of BAS 00030676?
The molecular formula of BAS 00030676 is C19H14N4O5.
What is the molecular weight of BAS 00030676?
The molecular weight of BAS 00030676 is 378.10 g/mol.
Where can I buy BAS 00030676?
You can request a quote for BAS 00030676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00030676?
Yes, KEHONG BIO provides custom synthesis services for BAS 00030676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.