RefChem:89369
TL;DR: RefChem:89369 (CAS 3531-64-4) is a chemical compound with molecular formula C9H17N9O9 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyrrolidin-2-one;1,3,5,7-tetranitro-1,3,5,7-tetrazocane
Also Known As: 1-methylpyrrolidin-2-one, 2-Pyrrolidinone, 1-methyl-, compd. with octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (1:1), N-Methyl-2-pyrrolidinone, compound with octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (1:1), 1-methylpyrrolidin-2-one,1,3,5,7-tetranitro-1,3,5,7-tetrazocane, 1-methylpyrrolidin-2-one; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
| Molecular Formula | C9H17N9O9 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | -1.9566 |
| Topological Polar Surface Area | 205.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.11493 |
| Heavy Atoms | 27 |
| Complexity | 527.6397 |
Chemical Identifiers
| CAS Number | 3531-64-4 |
|---|---|
| SMILES | CN1CCCC1=O.C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
RefChem:89369 (CAS 3531-64-4), with molecular formula C9H17N9O9 and molecular weight 395.11 g/mol. IUPAC: 1-methylpyrrolidin-2-one;1,3,5,7-tetranitro-1,3,5,7-tetrazocane.
Chemical Property Profile of RefChem:89369
Property Insights of RefChem:89369
The XLogP value of -1.9566 indicates that RefChem:89369 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.83 Ų indicates high polarity, suggesting RefChem:89369 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:89369 has 0 hydrogen bond donor(s) and 9 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 RefChem:89369?
The CAS number of RefChem:89369 is 3531-64-4.
What is the molecular formula of RefChem:89369?
The molecular formula of RefChem:89369 is C9H17N9O9.
What is the molecular weight of RefChem:89369?
The molecular weight of RefChem:89369 is 395.11 g/mol.
Where can I buy RefChem:89369?
You can request a quote for RefChem:89369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:89369?
Yes, KEHONG BIO provides custom synthesis services for RefChem:89369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.