6-Acetoxymethylanthanthrene
TL;DR: 6-Acetoxymethylanthanthrene (CAS 115743-49-2) is a chemical compound with molecular formula C25H16O2 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethyl acetate
Also Known As: 6-Acetoxymethylanthanthrene, NIOSH/HO7060000, dibenzo[def,mno]chrysene-6-methanol, acetate, Dibenzo(def,mno)chrysene-6-methanol, acetate, Cyclopenta[cd]pyren-4-ol,3,4-dihydro-,acetate (9CI)
| Molecular Formula | C25H16O2 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.11502 |
| Heavy Atoms | 27 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 115743-49-2 |
|---|---|
| SMILES | CC(=O)OCC1=C2C=CC3=C4C2=C5C(=CC4=CC=C3)C=CC6=C5C1=CC=C6 |
| InChIKey | ZIGKBEZBRSHXIB-UHFFFAOYSA-N |
Product Overview
6-Acetoxymethylanthanthrene (CAS 115743-49-2), with molecular formula C25H16O2 and molecular weight 348.12 g/mol. IUPAC: 12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethyl acetate.
Chemical Property Profile of 6-Acetoxymethylanthanthrene
Property Insights of 6-Acetoxymethylanthanthrene
The XLogP value of 6.6 indicates that 6-Acetoxymethylanthanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Acetoxymethylanthanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Acetoxymethylanthanthrene 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 6-Acetoxymethylanthanthrene?
The CAS number of 6-Acetoxymethylanthanthrene is 115743-49-2.
What is the molecular formula of 6-Acetoxymethylanthanthrene?
The molecular formula of 6-Acetoxymethylanthanthrene is C25H16O2.
What is the molecular weight of 6-Acetoxymethylanthanthrene?
The molecular weight of 6-Acetoxymethylanthanthrene is 348.12 g/mol.
Where can I buy 6-Acetoxymethylanthanthrene?
You can request a quote for 6-Acetoxymethylanthanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetoxymethylanthanthrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetoxymethylanthanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.