Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)-
TL;DR: Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- (CAS 116016-22-9) is a chemical compound with molecular formula C22H18O and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methoxymethyl)-1,2-dihydrobenzo[j]aceanthrylene
Also Known As: 3-Methoxy-3-methylcholanthrene, Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)-, 3-(methoxymethyl)-1,2-dihydrobenzo[j]aceanthrylene, 3-(Methoxymethyl)-1,2-dihydrocyclopenta[ij]tetraphene
| Molecular Formula | C22H18O |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.13577 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 116016-22-9 |
|---|---|
| SMILES | COCC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 |
| InChIKey | KSLWIGDPEDEQOI-UHFFFAOYSA-N |
Product Overview
Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- (CAS 116016-22-9), with molecular formula C22H18O and molecular weight 298.14 g/mol. IUPAC: 3-(methoxymethyl)-1,2-dihydrobenzo[j]aceanthrylene.
Chemical Property Profile of Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)-
Property Insights of Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)-
The XLogP value of 5.7 indicates that Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- 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 Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)-?
The CAS number of Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- is 116016-22-9.
What is the molecular formula of Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)-?
The molecular formula of Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- is C22H18O.
What is the molecular weight of Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)-?
The molecular weight of Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- is 298.14 g/mol.
Where can I buy Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)-?
You can request a quote for Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benz(j)aceanthrylene, 1,2-dihydro-3-(methoxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.