12-Nitroindeno(1,2,3-cd)pyrene
TL;DR: 12-Nitroindeno(1,2,3-cd)pyrene (CAS 95050-14-9) is a chemical compound with molecular formula C22H11NO2 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitrohexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaene
Also Known As: 12-Nitroindeno(1,2,3-cd)pyrene, 10-nitroindeno[1,2,3-cd]pyrene, 12-NITROINDENO[1,2,3-CD]PYRENE, Benzoic acid,4-(hexyloxy)-,4-(2-methylbutoxy)phenyl ester
| Molecular Formula | C22H11NO2 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.07898 |
| Heavy Atoms | 25 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 95050-14-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=C4C5=C(C6=C4C3=C(C=C2)C=C6)C(=CC=C5)[N+](=O)[O-] |
| InChIKey | UBYQOQMCSPXBEG-UHFFFAOYSA-N |
Product Overview
12-Nitroindeno(1,2,3-cd)pyrene (CAS 95050-14-9), with molecular formula C22H11NO2 and molecular weight 321.08 g/mol. IUPAC: 6-nitrohexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaene.
Chemical Property Profile of 12-Nitroindeno(1,2,3-cd)pyrene
Property Insights of 12-Nitroindeno(1,2,3-cd)pyrene
The XLogP value of 6.2 indicates that 12-Nitroindeno(1,2,3-cd)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 12-Nitroindeno(1,2,3-cd)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Nitroindeno(1,2,3-cd)pyrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Nitroindeno(1,2,3-cd)pyrene?
The CAS number of 12-Nitroindeno(1,2,3-cd)pyrene is 95050-14-9.
What is the molecular formula of 12-Nitroindeno(1,2,3-cd)pyrene?
The molecular formula of 12-Nitroindeno(1,2,3-cd)pyrene is C22H11NO2.
What is the molecular weight of 12-Nitroindeno(1,2,3-cd)pyrene?
The molecular weight of 12-Nitroindeno(1,2,3-cd)pyrene is 321.08 g/mol.
Where can I buy 12-Nitroindeno(1,2,3-cd)pyrene?
You can request a quote for 12-Nitroindeno(1,2,3-cd)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Nitroindeno(1,2,3-cd)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 12-Nitroindeno(1,2,3-cd)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.