Benzo(cd)pyrenone
TL;DR: Benzo(cd)pyrenone (CAS 80398-28-3) is a chemical compound with molecular formula C19H26O2 and molecular weight 286.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane-7,9-dione
Also Known As: Benzo(cd)pyrenone, BENZO[CD]PYRENE, Tetradecahydro-2H-benzo[cd]pyrene-1,11(3H,7H)-dione
| Molecular Formula | C19H26O2 |
|---|---|
| Molecular Weight | 286.19 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.19327 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 80398-28-3 |
|---|---|
| SMILES | C1CC2CC3CCCC4C3C5C2C(C1)CC(=O)C5C(=O)C4 |
| InChIKey | BNONNXKQEAGEGI-UHFFFAOYSA-N |
Product Overview
Benzo(cd)pyrenone (CAS 80398-28-3), with molecular formula C19H26O2 and molecular weight 286.19 g/mol. IUPAC: pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane-7,9-dione.
Chemical Property Profile of Benzo(cd)pyrenone
Property Insights of Benzo(cd)pyrenone
The XLogP value of 4.3 indicates that Benzo(cd)pyrenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Benzo(cd)pyrenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(cd)pyrenone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(cd)pyrenone?
The CAS number of Benzo(cd)pyrenone is 80398-28-3.
What is the molecular formula of Benzo(cd)pyrenone?
The molecular formula of Benzo(cd)pyrenone is C19H26O2.
What is the molecular weight of Benzo(cd)pyrenone?
The molecular weight of Benzo(cd)pyrenone is 286.19 g/mol.
Where can I buy Benzo(cd)pyrenone?
You can request a quote for Benzo(cd)pyrenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(cd)pyrenone?
Yes, KEHONG BIO provides custom synthesis services for Benzo(cd)pyrenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.