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Benz[a]anthracene-7-acetonitrile
TL;DR: Benz[a]anthracene-7-acetonitrile (CAS 63018-69-9) is a chemical compound with molecular formula C20H13N and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzo[a]anthracen-7-ylacetonitrile
Also Known As: Benz[a]anthracene-7-acetonitrile, 2-benzo[a]anthracen-7-ylacetonitrile, (Tetraphen-7-yl)acetonitrile, 10-Cyanomethyl-1,2-benzanthracene, BENZ(a)ANTHRACEN-7-ACETONITRILE
| Molecular Formula | C20H13N |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.1048 |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 63018-69-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CC#N |
| InChIKey | GHUUNAACTDWPKC-UHFFFAOYSA-N |
Product Overview
Benz[a]anthracene-7-acetonitrile (CAS 63018-69-9), with molecular formula C20H13N and molecular weight 267.10 g/mol. IUPAC: 2-benzo[a]anthracen-7-ylacetonitrile.
Chemical Property Profile of Benz[a]anthracene-7-acetonitrile
Property Insights of Benz[a]anthracene-7-acetonitrile
The XLogP value of 5.3 indicates that Benz[a]anthracene-7-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Benz[a]anthracene-7-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz[a]anthracene-7-acetonitrile 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-7-acetonitrile?
The CAS number of Benz[a]anthracene-7-acetonitrile is 63018-69-9.
What is the molecular formula of Benz[a]anthracene-7-acetonitrile?
The molecular formula of Benz[a]anthracene-7-acetonitrile is C20H13N.
What is the molecular weight of Benz[a]anthracene-7-acetonitrile?
The molecular weight of Benz[a]anthracene-7-acetonitrile is 267.10 g/mol.
Where can I buy Benz[a]anthracene-7-acetonitrile?
You can request a quote for Benz[a]anthracene-7-acetonitrile 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-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Benz[a]anthracene-7-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.