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12-Methylbenz[a]anthracene-7-carboxylic acid
TL;DR: 12-Methylbenz[a]anthracene-7-carboxylic acid (CAS 18787-75-2) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methylbenzo[a]anthracene-7-carboxylic acid
Also Known As: 12-Methylbenz(a)anthracene-7-carboxylic acid, Benz(a)anthracene-7-carboxylic acid, 12-methyl-, 12-Methyltetraphene-7-carboxylic acid, 12-Methylbenz[a]anthracene-7-carboxylic acid, 4-09-00-02748 (Beilstein Handbook Reference)
| Molecular Formula | C20H14O2 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.09937 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 18787-75-2 |
|---|---|
| SMILES | CC1=C2C(=C(C3=CC=CC=C13)C(=O)O)C=CC4=CC=CC=C42 |
| InChIKey | LDSVDLBXNTZPMU-UHFFFAOYSA-N |
Product Overview
12-Methylbenz[a]anthracene-7-carboxylic acid (CAS 18787-75-2), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: 12-methylbenzo[a]anthracene-7-carboxylic acid.
Chemical Property Profile of 12-Methylbenz[a]anthracene-7-carboxylic acid
Property Insights of 12-Methylbenz[a]anthracene-7-carboxylic acid
The XLogP value of 5.6 indicates that 12-Methylbenz[a]anthracene-7-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 12-Methylbenz[a]anthracene-7-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Methylbenz[a]anthracene-7-carboxylic acid has 1 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-Methylbenz[a]anthracene-7-carboxylic acid?
The CAS number of 12-Methylbenz[a]anthracene-7-carboxylic acid is 18787-75-2.
What is the molecular formula of 12-Methylbenz[a]anthracene-7-carboxylic acid?
The molecular formula of 12-Methylbenz[a]anthracene-7-carboxylic acid is C20H14O2.
What is the molecular weight of 12-Methylbenz[a]anthracene-7-carboxylic acid?
The molecular weight of 12-Methylbenz[a]anthracene-7-carboxylic acid is 286.10 g/mol.
Where can I buy 12-Methylbenz[a]anthracene-7-carboxylic acid?
You can request a quote for 12-Methylbenz[a]anthracene-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Methylbenz[a]anthracene-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-Methylbenz[a]anthracene-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.