3-Methylbenz(j)aceanthrylen-1(2H)-one
TL;DR: 3-Methylbenz(j)aceanthrylen-1(2H)-one (CAS 3343-07-5) is a chemical compound with molecular formula C21H14O and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2H-benzo[j]aceanthrylen-1-one
Also Known As: 3-Methylcholanthrene-1-one, 3-Methylcholanthren-1-one, 1-Oxo-3-methylcholanthrene, 1-Keto-3-methylcholanthrene, 20-Methylcholanthren-15-one
| Molecular Formula | C21H14O |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.10446 |
| Heavy Atoms | 22 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 3343-07-5 |
|---|---|
| SMILES | CC1=C2CC(=O)C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 |
| InChIKey | MNJLMJJOUUALAQ-UHFFFAOYSA-N |
Product Overview
3-Methylbenz(j)aceanthrylen-1(2H)-one (CAS 3343-07-5), with molecular formula C21H14O and molecular weight 282.10 g/mol. IUPAC: 3-methyl-2H-benzo[j]aceanthrylen-1-one.
Chemical Property Profile of 3-Methylbenz(j)aceanthrylen-1(2H)-one
Property Insights of 3-Methylbenz(j)aceanthrylen-1(2H)-one
The XLogP value of 5.5 indicates that 3-Methylbenz(j)aceanthrylen-1(2H)-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, 3-Methylbenz(j)aceanthrylen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenz(j)aceanthrylen-1(2H)-one 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 3-Methylbenz(j)aceanthrylen-1(2H)-one?
The CAS number of 3-Methylbenz(j)aceanthrylen-1(2H)-one is 3343-07-5.
What is the molecular formula of 3-Methylbenz(j)aceanthrylen-1(2H)-one?
The molecular formula of 3-Methylbenz(j)aceanthrylen-1(2H)-one is C21H14O.
What is the molecular weight of 3-Methylbenz(j)aceanthrylen-1(2H)-one?
The molecular weight of 3-Methylbenz(j)aceanthrylen-1(2H)-one is 282.10 g/mol.
Where can I buy 3-Methylbenz(j)aceanthrylen-1(2H)-one?
You can request a quote for 3-Methylbenz(j)aceanthrylen-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenz(j)aceanthrylen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenz(j)aceanthrylen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.