Benz(a)anthracene-12-carboxaldehyde
TL;DR: Benz(a)anthracene-12-carboxaldehyde (CAS 3558-03-0) is a chemical compound with molecular formula C19H12O and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]anthracene-12-carbaldehyde
Also Known As: tetraphene-12-carbaldehyde, Benz(a)anthracene-12-carboxaldehyde, benzo[a]anthracene-12-carbaldehyde, Benz[a]anthracene-12-carboxaldehyde, BENZO[A]ANTHRACENE-12-CARBOXALDEHYDE
| Molecular Formula | C19H12O |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0888 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 3558-03-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C(=C32)C=O |
| InChIKey | IZGKMPFVTHIGMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benz(a)anthracene-12-carboxaldehyde (CAS 3558-03-0), with molecular formula C19H12O and molecular weight 256.09 g/mol. IUPAC: benzo[a]anthracene-12-carbaldehyde.
Chemical Property Profile of Benz(a)anthracene-12-carboxaldehyde
Property Insights of Benz(a)anthracene-12-carboxaldehyde
The XLogP value of 5.1 indicates that Benz(a)anthracene-12-carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Benz(a)anthracene-12-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-12-carboxaldehyde has 0 hydrogen bond donor(s) and 1 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-carboxaldehyde?
The CAS number of Benz(a)anthracene-12-carboxaldehyde is 3558-03-0.
What is the molecular formula of Benz(a)anthracene-12-carboxaldehyde?
The molecular formula of Benz(a)anthracene-12-carboxaldehyde is C19H12O.
What is the molecular weight of Benz(a)anthracene-12-carboxaldehyde?
The molecular weight of Benz(a)anthracene-12-carboxaldehyde is 256.09 g/mol.
Where can I buy Benz(a)anthracene-12-carboxaldehyde?
You can request a quote for Benz(a)anthracene-12-carboxaldehyde 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-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-12-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.