Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl-
TL;DR: Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- (CAS 64365-35-1) is a chemical compound with molecular formula C22H18O3 and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(hydroxymethyl)-12-methylbenzo[a]anthracen-5-yl] acetate
Also Known As: 5-(Acetyloxy)-12-methylbenz(a)anthracene-7-methanol, Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl-, 7-(hydroxymethyl)-12-methyltetraphen-5-yl acetate, Benz[a]anthracene-7-methanol, 5-(acetyloxy)-12-methyl-, [7-(hydroxymethyl)-12-methylbenzo[a]anthracen-5-yl] acetate
| Molecular Formula | C22H18O3 |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.12558 |
| Heavy Atoms | 25 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 64365-35-1 |
|---|---|
| SMILES | CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)CO)OC(=O)C |
| InChIKey | BRNAGVGDWKOSGO-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- (CAS 64365-35-1), with molecular formula C22H18O3 and molecular weight 330.13 g/mol. IUPAC: [7-(hydroxymethyl)-12-methylbenzo[a]anthracen-5-yl] acetate.
Chemical Property Profile of Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl-
Property Insights of Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl-
The XLogP value of 4.9 indicates that Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl-?
The CAS number of Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- is 64365-35-1.
What is the molecular formula of Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl-?
The molecular formula of Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- is C22H18O3.
What is the molecular weight of Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl-?
The molecular weight of Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- is 330.13 g/mol.
Where can I buy Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl-?
You can request a quote for Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- 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, 5-(acetyloxy)-12-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-7-methanol, 5-(acetyloxy)-12-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.