Benz(def)indeno(1,2,3-qr)chrysene
TL;DR: Benz(def)indeno(1,2,3-qr)chrysene (CAS 111189-34-5) is a chemical compound with molecular formula C26H14 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptacyclo[20.3.1.02,7.08,25.011,24.014,23.016,21]hexacosa-1(26),2,4,6,8(25),9,11(24),12,14,16,18,20,22-tridecaene
Also Known As: Benz(def)indeno(1,2,3-qr)chrysene, benz[def]indeno[1,2,3qr]chrysene, fluoreno[3,2,1,9-pqra]tetraphene, RefChem:321081
| Molecular Formula | C26H14 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.10956 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 111189-34-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C=C6C5=C(C=C4)C7=CC=CC=C76 |
| InChIKey | FSUPSEJFXMSVMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benz(def)indeno(1,2,3-qr)chrysene (CAS 111189-34-5), with molecular formula C26H14 and molecular weight 326.11 g/mol. IUPAC: heptacyclo[20.3.1.02,7.08,25.011,24.014,23.016,21]hexacosa-1(26),2,4,6,8(25),9,11(24),12,14,16,18,20,22-tridecaene.
Chemical Property Profile of Benz(def)indeno(1,2,3-qr)chrysene
Property Insights of Benz(def)indeno(1,2,3-qr)chrysene
The XLogP value of 7.6 indicates that Benz(def)indeno(1,2,3-qr)chrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benz(def)indeno(1,2,3-qr)chrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(def)indeno(1,2,3-qr)chrysene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benz(def)indeno(1,2,3-qr)chrysene?
The CAS number of Benz(def)indeno(1,2,3-qr)chrysene is 111189-34-5.
What is the molecular formula of Benz(def)indeno(1,2,3-qr)chrysene?
The molecular formula of Benz(def)indeno(1,2,3-qr)chrysene is C26H14.
What is the molecular weight of Benz(def)indeno(1,2,3-qr)chrysene?
The molecular weight of Benz(def)indeno(1,2,3-qr)chrysene is 326.11 g/mol.
Where can I buy Benz(def)indeno(1,2,3-qr)chrysene?
You can request a quote for Benz(def)indeno(1,2,3-qr)chrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(def)indeno(1,2,3-qr)chrysene?
Yes, KEHONG BIO provides custom synthesis services for Benz(def)indeno(1,2,3-qr)chrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.