4-Nitrobenz(k)acephenanthrylene
TL;DR: 4-Nitrobenz(k)acephenanthrylene (CAS 107673-66-5) is a chemical compound with molecular formula C20H11NO2 and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-nitropentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
Also Known As: 4-Nitrobenz(k)acephenanthrylene, Benz(k)acephenanthrylene, 4-nitro-, 4-Nitrocyclopenta[de]tetraphene, 4-NITROBENZ[K]ACEPHENANTHRYLENE
| Molecular Formula | C20H11NO2 |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.07898 |
| Heavy Atoms | 23 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 107673-66-5 |
|---|---|
| SMILES | C1=CC=C2C=C3C4=C5C(=CC=C4)C(=CC5=CC3=CC2=C1)[N+](=O)[O-] |
| InChIKey | QGFCPLWCJSTRSV-UHFFFAOYSA-N |
Product Overview
4-Nitrobenz(k)acephenanthrylene (CAS 107673-66-5), with molecular formula C20H11NO2 and molecular weight 297.08 g/mol. IUPAC: 15-nitropentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene.
Chemical Property Profile of 4-Nitrobenz(k)acephenanthrylene
Property Insights of 4-Nitrobenz(k)acephenanthrylene
The XLogP value of 5.7 indicates that 4-Nitrobenz(k)acephenanthrylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Nitrobenz(k)acephenanthrylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrobenz(k)acephenanthrylene 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 4-Nitrobenz(k)acephenanthrylene?
The CAS number of 4-Nitrobenz(k)acephenanthrylene is 107673-66-5.
What is the molecular formula of 4-Nitrobenz(k)acephenanthrylene?
The molecular formula of 4-Nitrobenz(k)acephenanthrylene is C20H11NO2.
What is the molecular weight of 4-Nitrobenz(k)acephenanthrylene?
The molecular weight of 4-Nitrobenz(k)acephenanthrylene is 297.08 g/mol.
Where can I buy 4-Nitrobenz(k)acephenanthrylene?
You can request a quote for 4-Nitrobenz(k)acephenanthrylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenz(k)acephenanthrylene?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenz(k)acephenanthrylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.