7,12-Dimethylbenz(a)anthracene 5,6-imine
TL;DR: 7,12-Dimethylbenz(a)anthracene 5,6-imine (CAS 71382-46-2) is a chemical compound with molecular formula C20H15N and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,19-dimethyl-3-azapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),2(4),5,7,9,11,13,15,17-nonaene
Also Known As: 7,12-Dimethylbenz(a)anthracene 5,6-imine, 6,11-Dimethyl-1H-tetrapheno[5,6-b]azirine, 1a,11b-Dihydro-6,11-dimethylbenz(3,4)anthra(1,2-b)azirine, 7,12-DIMETHYLBENZ[A]ANTHRACENE 5,6-IMINE, 1a,11b-Dihydro-6,11-dimethyl-1H-benz[a]anthra[5,6-b]azirine
| Molecular Formula | C20H15N |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 21.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.12045 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 71382-46-2 |
|---|---|
| SMILES | CC1=C2C3=CC=CC=C3C4=C(C2=C(C5=CC=CC=C15)C)N4 |
| InChIKey | HXSNQZMHFASZHG-UHFFFAOYSA-N |
Product Overview
7,12-Dimethylbenz(a)anthracene 5,6-imine (CAS 71382-46-2), with molecular formula C20H15N and molecular weight 269.12 g/mol. IUPAC: 12,19-dimethyl-3-azapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),2(4),5,7,9,11,13,15,17-nonaene.
Chemical Property Profile of 7,12-Dimethylbenz(a)anthracene 5,6-imine
Property Insights of 7,12-Dimethylbenz(a)anthracene 5,6-imine
The XLogP value of 5.1 indicates that 7,12-Dimethylbenz(a)anthracene 5,6-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.9 Ų, 7,12-Dimethylbenz(a)anthracene 5,6-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,12-Dimethylbenz(a)anthracene 5,6-imine has 1 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 7,12-Dimethylbenz(a)anthracene 5,6-imine?
The CAS number of 7,12-Dimethylbenz(a)anthracene 5,6-imine is 71382-46-2.
What is the molecular formula of 7,12-Dimethylbenz(a)anthracene 5,6-imine?
The molecular formula of 7,12-Dimethylbenz(a)anthracene 5,6-imine is C20H15N.
What is the molecular weight of 7,12-Dimethylbenz(a)anthracene 5,6-imine?
The molecular weight of 7,12-Dimethylbenz(a)anthracene 5,6-imine is 269.12 g/mol.
Where can I buy 7,12-Dimethylbenz(a)anthracene 5,6-imine?
You can request a quote for 7,12-Dimethylbenz(a)anthracene 5,6-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,12-Dimethylbenz(a)anthracene 5,6-imine?
Yes, KEHONG BIO provides custom synthesis services for 7,12-Dimethylbenz(a)anthracene 5,6-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.