3,4'-Ace-1,2-benzanthracene
TL;DR: 3,4'-Ace-1,2-benzanthracene (CAS 5779-79-3) is a chemical compound with molecular formula C20H14 and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,16(20),17-nonaene
Also Known As: Acenaphthanthracene, Benz(k)acephenanthrene, Acenaphthanthracen, 3,4'-Ace-1,2-benzanthracene, 3:4-Dimethylene-1:2-benzanthracene
| Molecular Formula | C20H14 |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.10954 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 5779-79-3 |
|---|---|
| SMILES | C1CC2=CC3=CC4=CC=CC=C4C=C3C5=CC=CC1=C25 |
| InChIKey | PMNATJJZOUNELG-UHFFFAOYSA-N |
Product Overview
3,4'-Ace-1,2-benzanthracene (CAS 5779-79-3), with molecular formula C20H14 and molecular weight 254.11 g/mol. IUPAC: pentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,16(20),17-nonaene.
Chemical Property Profile of 3,4'-Ace-1,2-benzanthracene
Property Insights of 3,4'-Ace-1,2-benzanthracene
The XLogP value of 5.7 indicates that 3,4'-Ace-1,2-benzanthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4'-Ace-1,2-benzanthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4'-Ace-1,2-benzanthracene 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 3,4'-Ace-1,2-benzanthracene?
The CAS number of 3,4'-Ace-1,2-benzanthracene is 5779-79-3.
What is the molecular formula of 3,4'-Ace-1,2-benzanthracene?
The molecular formula of 3,4'-Ace-1,2-benzanthracene is C20H14.
What is the molecular weight of 3,4'-Ace-1,2-benzanthracene?
The molecular weight of 3,4'-Ace-1,2-benzanthracene is 254.11 g/mol.
Where can I buy 3,4'-Ace-1,2-benzanthracene?
You can request a quote for 3,4'-Ace-1,2-benzanthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4'-Ace-1,2-benzanthracene?
Yes, KEHONG BIO provides custom synthesis services for 3,4'-Ace-1,2-benzanthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.