Benz(a)anthracene-12-methanol, acetate
TL;DR: Benz(a)anthracene-12-methanol, acetate (CAS 17526-33-9) is a chemical compound with molecular formula C21H16O2 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]anthracen-12-ylmethyl acetate
Also Known As: 12-Acetoxymethylbenz(a)anthracene, Benz(a)anthracene-12-methanol, acetate, (Tetraphen-12-yl)methyl acetate, benzo[a]anthracen-12-ylmethyl acetate, 12-ACETOXYMETHYLBENZ[A]ANTHRACENE
| Molecular Formula | C21H16O2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.11502 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 17526-33-9 |
|---|---|
| SMILES | CC(=O)OCC1=C2C(=CC3=CC=CC=C31)C=CC4=CC=CC=C42 |
| InChIKey | JMUGSXYAMMYGME-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-12-methanol, acetate (CAS 17526-33-9), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: benzo[a]anthracen-12-ylmethyl acetate.
Chemical Property Profile of Benz(a)anthracene-12-methanol, acetate
Property Insights of Benz(a)anthracene-12-methanol, acetate
The XLogP value of 5.4 indicates that Benz(a)anthracene-12-methanol, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benz(a)anthracene-12-methanol, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-12-methanol, acetate 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 Benz(a)anthracene-12-methanol, acetate?
The CAS number of Benz(a)anthracene-12-methanol, acetate is 17526-33-9.
What is the molecular formula of Benz(a)anthracene-12-methanol, acetate?
The molecular formula of Benz(a)anthracene-12-methanol, acetate is C21H16O2.
What is the molecular weight of Benz(a)anthracene-12-methanol, acetate?
The molecular weight of Benz(a)anthracene-12-methanol, acetate is 300.12 g/mol.
Where can I buy Benz(a)anthracene-12-methanol, acetate?
You can request a quote for Benz(a)anthracene-12-methanol, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracene-12-methanol, acetate?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-12-methanol, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.