1H-Pyrrole, 2,4-dinitro-
TL;DR: 1H-Pyrrole, 2,4-dinitro- (CAS 3130-54-9) is a chemical compound with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-1H-pyrrole
Also Known As: 2,4-Dinitropyrrole, 2,4-Dinitro-1H-pyrrole, Pyrrole, 2,4-dinitro-, 1H-Pyrrole, 2,4-dinitro-, 1H-Pyrrole, 2,4-dinitro- (9CI)
| Molecular Formula | C4H3N3O4 |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.01236 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 3130-54-9 |
|---|---|
| SMILES | C1=C(NC=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KHRLLKMEFYMMPA-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole, 2,4-dinitro- (CAS 3130-54-9), with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol. IUPAC: 2,4-dinitro-1H-pyrrole.
Chemical Property Profile of 1H-Pyrrole, 2,4-dinitro-
Property Insights of 1H-Pyrrole, 2,4-dinitro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 2,4-dinitro-. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole, 2,4-dinitro-. Following Lipinski's Rule of Five, 1H-Pyrrole, 2,4-dinitro- has 1 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 1H-Pyrrole, 2,4-dinitro-?
The CAS number of 1H-Pyrrole, 2,4-dinitro- is 3130-54-9.
What is the molecular formula of 1H-Pyrrole, 2,4-dinitro-?
The molecular formula of 1H-Pyrrole, 2,4-dinitro- is C4H3N3O4.
What is the molecular weight of 1H-Pyrrole, 2,4-dinitro-?
The molecular weight of 1H-Pyrrole, 2,4-dinitro- is 157.01 g/mol.
Where can I buy 1H-Pyrrole, 2,4-dinitro-?
You can request a quote for 1H-Pyrrole, 2,4-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.