![16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione structure](/static/products/684/68411-74-5.png)
16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
TL;DR: 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione (CAS 68411-74-5) is a chemical compound with molecular formula C46H40O2 and molecular weight 624.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
30-dodecylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),22,24,26,28,33-hexadecaene-12,21-dione
Also Known As: Lauryl dibenzanthrone, EINECS 270-144-9, Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, lauryl derivs., Dinaphtho(1,2,3-cd:3',2',1'-lm)perylene-5,10-dione, lauryl derivs., Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, lauryl derivs.
| Molecular Formula | C46H40O2 |
|---|---|
| Molecular Weight | 624.30 g/mol |
| LogP | 12.6234 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 624.30286 |
| Heavy Atoms | 48 |
| Complexity | 2426.7197 |
Chemical Identifiers
| CAS Number | 68411-74-5 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=C2C3=C4C(=CC=C5C4=C(C=C3)C6=CC=CC=C6C5=O)C7=C2C8=C(C=C7)C(=O)C9=CC=CC=C9C8=C1 |
Product Overview
16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione (CAS 68411-74-5), with molecular formula C46H40O2 and molecular weight 624.30 g/mol. IUPAC: 30-dodecylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),22,24,26,28,33-hexadecaene-12,21-dione.
Chemical Property Profile of 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
Property Insights of 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
The XLogP value of 12.6234 indicates that 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione?
The CAS number of 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione is 68411-74-5.
What is the molecular formula of 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione?
The molecular formula of 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione is C46H40O2.
What is the molecular weight of 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione?
The molecular weight of 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione is 624.30 g/mol.
Where can I buy 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione?
You can request a quote for 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 16-Dodecylanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.