1H-Pyrrole, 2,4-dinitro-1-pentyl-
TL;DR: 1H-Pyrrole, 2,4-dinitro-1-pentyl- (CAS 3130-46-9) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-1-pentylpyrrole
Also Known As: 2,4-Dinitro-1-pentyl-1H-pyrrole, 2,4-dinitro-1-pentylpyrrole, Pyrrole, 2,4-dinitro-1-pentyl-, 1H-Pyrrole, 2,4-dinitro-1-pentyl-, 1H-Pyrrole, 2,4-dinitro-1-pentyl- (9CI)
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 3130-46-9 |
|---|---|
| SMILES | CCCCCN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QKSMXELCLHROSH-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole, 2,4-dinitro-1-pentyl- (CAS 3130-46-9), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 2,4-dinitro-1-pentylpyrrole.
Chemical Property Profile of 1H-Pyrrole, 2,4-dinitro-1-pentyl-
Property Insights of 1H-Pyrrole, 2,4-dinitro-1-pentyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 2,4-dinitro-1-pentyl-. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole, 2,4-dinitro-1-pentyl-. Following Lipinski's Rule of Five, 1H-Pyrrole, 2,4-dinitro-1-pentyl- 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 1H-Pyrrole, 2,4-dinitro-1-pentyl-?
The CAS number of 1H-Pyrrole, 2,4-dinitro-1-pentyl- is 3130-46-9.
What is the molecular formula of 1H-Pyrrole, 2,4-dinitro-1-pentyl-?
The molecular formula of 1H-Pyrrole, 2,4-dinitro-1-pentyl- is C9H13N3O4.
What is the molecular weight of 1H-Pyrrole, 2,4-dinitro-1-pentyl-?
The molecular weight of 1H-Pyrrole, 2,4-dinitro-1-pentyl- is 227.09 g/mol.
Where can I buy 1H-Pyrrole, 2,4-dinitro-1-pentyl-?
You can request a quote for 1H-Pyrrole, 2,4-dinitro-1-pentyl- 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-1-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 2,4-dinitro-1-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.