Pyrene, 1,3,6,8-tetranitro-
TL;DR: Pyrene, 1,3,6,8-tetranitro- (CAS 28767-61-5) is a chemical compound with molecular formula C16H6N4O8 and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,6,8-tetranitropyrene
Also Known As: 1,3,6,8-TETRANITROPYRENE, Pyrene, 1,3,6,8-tetranitro-, 4-05-00-02471 (Beilstein Handbook Reference), 684-180-1, BRN 2315192
| Molecular Formula | C16H6N4O8 |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 382.01855 |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 28767-61-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=CC4=C(C=C(C1=C43)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KSYXGBHNJOKVIK-UHFFFAOYSA-N |
Product Overview
Pyrene, 1,3,6,8-tetranitro- (CAS 28767-61-5), with molecular formula C16H6N4O8 and molecular weight 382.02 g/mol. IUPAC: 1,3,6,8-tetranitropyrene.
Chemical Property Profile of Pyrene, 1,3,6,8-tetranitro-
Property Insights of Pyrene, 1,3,6,8-tetranitro-
The XLogP value of 4.3 indicates that Pyrene, 1,3,6,8-tetranitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting Pyrene, 1,3,6,8-tetranitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrene, 1,3,6,8-tetranitro- has 0 hydrogen bond donor(s) and 8 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 Pyrene, 1,3,6,8-tetranitro-?
The CAS number of Pyrene, 1,3,6,8-tetranitro- is 28767-61-5.
What is the molecular formula of Pyrene, 1,3,6,8-tetranitro-?
The molecular formula of Pyrene, 1,3,6,8-tetranitro- is C16H6N4O8.
What is the molecular weight of Pyrene, 1,3,6,8-tetranitro-?
The molecular weight of Pyrene, 1,3,6,8-tetranitro- is 382.02 g/mol.
Where can I buy Pyrene, 1,3,6,8-tetranitro-?
You can request a quote for Pyrene, 1,3,6,8-tetranitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrene, 1,3,6,8-tetranitro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrene, 1,3,6,8-tetranitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.