2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione
TL;DR: 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione (CAS 858243-19-3) is a chemical compound with molecular formula C10H9N3O4 and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-5-nitrophthalazine-1,4-dione
Also Known As: 2,3-dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione, 2,3-dimethyl-5-nitrophthalazine-1,4-dione, 2,3-dimethyl-5-nitro-phthalazine-1,4-dione, 2,3-dimethyl-5-nitro-1,2,3,4-tetrahydrophthalazine-1,4-dione, 1,4-phthalazinedione, 2,3-dihydro-2,3-dimethyl-5-nitro-
| Molecular Formula | C10H9N3O4 |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 0.1454 |
| Topological Polar Surface Area | 87.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.05931 |
| Heavy Atoms | 17 |
| Complexity | 741.525 |
Chemical Identifiers
| CAS Number | 858243-19-3 |
|---|---|
| SMILES | CN1C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)N1C |
Product Overview
2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione (CAS 858243-19-3), with molecular formula C10H9N3O4 and molecular weight 235.06 g/mol. IUPAC: 2,3-dimethyl-5-nitrophthalazine-1,4-dione.
Chemical Property Profile of 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione
Property Insights of 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione
The XLogP value of 0.1454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione. The TPSA of 87.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione. Following Lipinski's Rule of Five, 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione has 0 hydrogen bond donor(s) and 4 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 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione?
The CAS number of 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione is 858243-19-3.
What is the molecular formula of 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione?
The molecular formula of 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione is C10H9N3O4.
What is the molecular weight of 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione?
The molecular weight of 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione is 235.06 g/mol.
Where can I buy 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione?
You can request a quote for 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-5-nitro-2,3-dihydrophthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.