Benz(e)aceanthrylene
TL;DR: Benz(e)aceanthrylene (CAS 199-54-2) is a chemical compound with molecular formula C20H12 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene
Also Known As: Benz(e)aceanthrylene, benz[e]aceanthrylene, Benz(4,5)aceanthrylene, Cyclopenta[gh]tetraphene, dibenzoacenaphthylene
| Molecular Formula | C20H12 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.0939 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 199-54-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC4=C3C2=CC5=CC=CC=C45 |
| InChIKey | YPMKRLARTMANBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benz(e)aceanthrylene (CAS 199-54-2), with molecular formula C20H12 and molecular weight 252.09 g/mol. IUPAC: pentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene.
Chemical Property Profile of Benz(e)aceanthrylene
Property Insights of Benz(e)aceanthrylene
The XLogP value of 6.2 indicates that Benz(e)aceanthrylene 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(e)aceanthrylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(e)aceanthrylene 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(e)aceanthrylene?
The CAS number of Benz(e)aceanthrylene is 199-54-2.
What is the molecular formula of Benz(e)aceanthrylene?
The molecular formula of Benz(e)aceanthrylene is C20H12.
What is the molecular weight of Benz(e)aceanthrylene?
The molecular weight of Benz(e)aceanthrylene is 252.09 g/mol.
Where can I buy Benz(e)aceanthrylene?
You can request a quote for Benz(e)aceanthrylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(e)aceanthrylene?
Yes, KEHONG BIO provides custom synthesis services for Benz(e)aceanthrylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.