Ketone, benzo(a)pyren-1-yl methyl-
TL;DR: Ketone, benzo(a)pyren-1-yl methyl- (CAS 4643-78-1) is a chemical compound with molecular formula C23H16O and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzo[a]pyren-1-ylpropan-2-one
Also Known As: Ketone, benzo(a)pyren-1-yl methyl-, Ethanone, 1-benzo[a]pyren-1-yl-, 1-benzo[a]pyren-1-ylpropan-2-one, Ketone, benzo[a]pyren-1-yl methyl, 1-(Benzo[pqr]tetraphen-1-yl)propan-2-one
| Molecular Formula | C23H16O |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 5.8687 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.12012 |
| Heavy Atoms | 24 |
| Complexity | 1246.985 |
Chemical Identifiers
| CAS Number | 4643-78-1 |
|---|---|
| SMILES | CC(=O)CC1=C2C=CC3=C4C2=C(C=CC4=CC5=CC=CC=C35)C=C1 |
Product Overview
Ketone, benzo(a)pyren-1-yl methyl- (CAS 4643-78-1), with molecular formula C23H16O and molecular weight 308.12 g/mol. IUPAC: 1-benzo[a]pyren-1-ylpropan-2-one.
Chemical Property Profile of Ketone, benzo(a)pyren-1-yl methyl-
Property Insights of Ketone, benzo(a)pyren-1-yl methyl-
The XLogP value of 5.8687 indicates that Ketone, benzo(a)pyren-1-yl methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Ketone, benzo(a)pyren-1-yl methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, benzo(a)pyren-1-yl methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ketone, benzo(a)pyren-1-yl methyl-?
The CAS number of Ketone, benzo(a)pyren-1-yl methyl- is 4643-78-1.
What is the molecular formula of Ketone, benzo(a)pyren-1-yl methyl-?
The molecular formula of Ketone, benzo(a)pyren-1-yl methyl- is C23H16O.
What is the molecular weight of Ketone, benzo(a)pyren-1-yl methyl-?
The molecular weight of Ketone, benzo(a)pyren-1-yl methyl- is 308.12 g/mol.
Where can I buy Ketone, benzo(a)pyren-1-yl methyl-?
You can request a quote for Ketone, benzo(a)pyren-1-yl methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, benzo(a)pyren-1-yl methyl-?
Yes, KEHONG BIO provides custom synthesis services for Ketone, benzo(a)pyren-1-yl methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.