Benzo(a)pentacene
TL;DR: Benzo(a)pentacene (CAS 239-98-5) is a chemical compound with molecular formula C26H16 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
Also Known As: Benzo[a]pentacene, Isohexaphene, Benzo(a)pentacene, Benzopentacen, anthra[2,3-b]phenanthrene
| Molecular Formula | C26H16 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.1252 |
| Heavy Atoms | 26 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 239-98-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=CC5=CC6=CC=CC=C6C=C5C=C4C=C32 |
| InChIKey | PLKNNIMJRPBOSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(a)pentacene (CAS 239-98-5), with molecular formula C26H16 and molecular weight 328.13 g/mol. IUPAC: hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene.
Chemical Property Profile of Benzo(a)pentacene
Property Insights of Benzo(a)pentacene
The XLogP value of 7.8 indicates that Benzo(a)pentacene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzo(a)pentacene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pentacene 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 Benzo(a)pentacene?
The CAS number of Benzo(a)pentacene is 239-98-5.
What is the molecular formula of Benzo(a)pentacene?
The molecular formula of Benzo(a)pentacene is C26H16.
What is the molecular weight of Benzo(a)pentacene?
The molecular weight of Benzo(a)pentacene is 328.13 g/mol.
Where can I buy Benzo(a)pentacene?
You can request a quote for Benzo(a)pentacene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pentacene?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pentacene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.