Benz(a)anthracene-7-methanol, 12-methyl-, acetate
TL;DR: Benz(a)anthracene-7-methanol, 12-methyl-, acetate (CAS 2517-98-8) is a chemical compound with molecular formula C22H18O2 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12-methylbenzo[a]anthracen-7-yl)methyl acetate
Also Known As: 7-Acetoxymethyl-12-methylbenz(a)anthracene, (12-methyl-7-tetraphenyl)methyl acetate, Benz(a)anthracene-7-methanol, 12-methyl-, acetate, 12-Methylbenz(a)anthracene-7-methanol acetate (ester), 7-acetoxymethyl-12-methylbenz[a]anthracene
| Molecular Formula | C22H18O2 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.13068 |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 2517-98-8 |
|---|---|
| SMILES | CC1=C2C(=C(C3=CC=CC=C13)COC(=O)C)C=CC4=CC=CC=C42 |
| InChIKey | QZBZIXDRHVAJSX-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-7-methanol, 12-methyl-, acetate (CAS 2517-98-8), with molecular formula C22H18O2 and molecular weight 314.13 g/mol. IUPAC: (12-methylbenzo[a]anthracen-7-yl)methyl acetate.
Chemical Property Profile of Benz(a)anthracene-7-methanol, 12-methyl-, acetate
Property Insights of Benz(a)anthracene-7-methanol, 12-methyl-, acetate
The XLogP value of 5.1 indicates that Benz(a)anthracene-7-methanol, 12-methyl-, 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-7-methanol, 12-methyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-7-methanol, 12-methyl-, 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-7-methanol, 12-methyl-, acetate?
The CAS number of Benz(a)anthracene-7-methanol, 12-methyl-, acetate is 2517-98-8.
What is the molecular formula of Benz(a)anthracene-7-methanol, 12-methyl-, acetate?
The molecular formula of Benz(a)anthracene-7-methanol, 12-methyl-, acetate is C22H18O2.
What is the molecular weight of Benz(a)anthracene-7-methanol, 12-methyl-, acetate?
The molecular weight of Benz(a)anthracene-7-methanol, 12-methyl-, acetate is 314.13 g/mol.
Where can I buy Benz(a)anthracene-7-methanol, 12-methyl-, acetate?
You can request a quote for Benz(a)anthracene-7-methanol, 12-methyl-, 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-7-methanol, 12-methyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-7-methanol, 12-methyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.