12-Acetoxymethyl-7-methylbenz(a)anthracene
TL;DR: 12-Acetoxymethyl-7-methylbenz(a)anthracene (CAS 31030-01-0) 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.
(7-methylbenzo[a]anthracen-12-yl)methyl acetate
Also Known As: 12-Acetoxymethyl-7-methylbenz(a)anthracene, NIOSH/CW8960000, (7-methyl-12-tetraphenyl)methyl acetate, KST-1A3676, KST-1A3677
| 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 | 31030-01-0 |
|---|---|
| SMILES | CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)COC(=O)C |
| InChIKey | DHWHLPMTSZMBIP-UHFFFAOYSA-N |
Product Overview
12-Acetoxymethyl-7-methylbenz(a)anthracene (CAS 31030-01-0), with molecular formula C22H18O2 and molecular weight 314.13 g/mol. IUPAC: (7-methylbenzo[a]anthracen-12-yl)methyl acetate.
Chemical Property Profile of 12-Acetoxymethyl-7-methylbenz(a)anthracene
Property Insights of 12-Acetoxymethyl-7-methylbenz(a)anthracene
The XLogP value of 5.1 indicates that 12-Acetoxymethyl-7-methylbenz(a)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 12-Acetoxymethyl-7-methylbenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Acetoxymethyl-7-methylbenz(a)anthracene 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 12-Acetoxymethyl-7-methylbenz(a)anthracene?
The CAS number of 12-Acetoxymethyl-7-methylbenz(a)anthracene is 31030-01-0.
What is the molecular formula of 12-Acetoxymethyl-7-methylbenz(a)anthracene?
The molecular formula of 12-Acetoxymethyl-7-methylbenz(a)anthracene is C22H18O2.
What is the molecular weight of 12-Acetoxymethyl-7-methylbenz(a)anthracene?
The molecular weight of 12-Acetoxymethyl-7-methylbenz(a)anthracene is 314.13 g/mol.
Where can I buy 12-Acetoxymethyl-7-methylbenz(a)anthracene?
You can request a quote for 12-Acetoxymethyl-7-methylbenz(a)anthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Acetoxymethyl-7-methylbenz(a)anthracene?
Yes, KEHONG BIO provides custom synthesis services for 12-Acetoxymethyl-7-methylbenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.