3-Ethylcholanthrene
TL;DR: 3-Ethylcholanthrene (CAS 7511-54-8) is a chemical compound with molecular formula C22H18 and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,2-dihydrobenzo[j]aceanthrylene
Also Known As: 3-Ethylcholanthrene, 20-Ethylcholanthrene, Cholanthrene, 3-ethyl-, 3-Ethyl-cholanthrene, 3-ethyl-1,2-dihydrocyclopenta[ij]tetraphene
| Molecular Formula | C22H18 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.14084 |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 7511-54-8 |
|---|---|
| SMILES | CCC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 |
| InChIKey | NZZUNDKOLHKMCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethylcholanthrene (CAS 7511-54-8), with molecular formula C22H18 and molecular weight 282.14 g/mol. IUPAC: 3-ethyl-1,2-dihydrobenzo[j]aceanthrylene.
Chemical Property Profile of 3-Ethylcholanthrene
Property Insights of 3-Ethylcholanthrene
The XLogP value of 6.9 indicates that 3-Ethylcholanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Ethylcholanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethylcholanthrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethylcholanthrene?
The CAS number of 3-Ethylcholanthrene is 7511-54-8.
What is the molecular formula of 3-Ethylcholanthrene?
The molecular formula of 3-Ethylcholanthrene is C22H18.
What is the molecular weight of 3-Ethylcholanthrene?
The molecular weight of 3-Ethylcholanthrene is 282.14 g/mol.
Where can I buy 3-Ethylcholanthrene?
You can request a quote for 3-Ethylcholanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylcholanthrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylcholanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.