![1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one structure](/static/products/6815/68151-08-6.webp)
1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one
TL;DR: 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one (CAS 68151-08-6) is a chemical compound with molecular formula C20H20O and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6,7,8,10,11,12-octahydro-1H-benzo[e]pyren-9-one
Also Known As: 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one, 2,3,6,7,8,10,11,12-octahydro-1H-benzo[e]pyren-9-one, 4-Chloro-pyridine-3-boronic acid pinacol ester, 1,2,3,6,7,8,11,12-Octahydrobenzo(e)pyren-9(10H)-one, 1,3,6,7,8,10,11,12-Octahydrobenzo[e]pyren-9(2H)-one
| Molecular Formula | C20H20O |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.15143 |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 68151-08-6 |
|---|---|
| SMILES | C1CC2=C3C(=C4CCCC(=O)C4=C5C3=C(CCC5)C=C2)C1 |
| InChIKey | UIJOUFUKJPLQEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one (CAS 68151-08-6), with molecular formula C20H20O and molecular weight 276.15 g/mol. IUPAC: 2,3,6,7,8,10,11,12-octahydro-1H-benzo[e]pyren-9-one.
Chemical Property Profile of 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one
Property Insights of 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one
The XLogP value of 4.9 indicates that 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one has 0 hydrogen bond donor(s) and 1 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 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one?
The CAS number of 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one is 68151-08-6.
What is the molecular formula of 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one?
The molecular formula of 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one is C20H20O.
What is the molecular weight of 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one?
The molecular weight of 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one is 276.15 g/mol.
Where can I buy 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one?
You can request a quote for 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6,7,8,11,12-Octahydrobenzo[e]pyren-9(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.