Dibenz(a,h)anthracene-5,6:12,13-bisimine
TL;DR: Dibenz(a,h)anthracene-5,6:12,13-bisimine (CAS 80984-67-4) is a chemical compound with molecular formula C22H16N2 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,17-diazaheptacyclo[13.9.0.03,13.04,6.07,12.016,18.019,24]tetracosa-1(15),2,7,9,11,13,19,21,23-nonaene
Also Known As: Dibenz(a,h)anthracene-5,6:12,13-bisimine, DIBENZ[A,H]ANTHRACENE-5,6:12,13-BISIMINE, 1,1a,6b,7,7a,12b-Hexahydrodibenz(3,4:7,8)anthra(1,2-b:5,6-b')bisazirine, Dibenz(3,4:7,8)anthra(1,2-b:5,6-b')bisazirine, 1,1a,6b,7,7a,12b-hexahydro-, BRN 4543761
| Molecular Formula | C22H16N2 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.13135 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 80984-67-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C(N3)C4=CC5=C(C=C24)C6C(N6)C7=CC=CC=C75 |
| InChIKey | HWECWFOILJDCJY-UHFFFAOYSA-N |
Product Overview
Dibenz(a,h)anthracene-5,6:12,13-bisimine (CAS 80984-67-4), with molecular formula C22H16N2 and molecular weight 308.13 g/mol. IUPAC: 5,17-diazaheptacyclo[13.9.0.03,13.04,6.07,12.016,18.019,24]tetracosa-1(15),2,7,9,11,13,19,21,23-nonaene.
Chemical Property Profile of Dibenz(a,h)anthracene-5,6:12,13-bisimine
Property Insights of Dibenz(a,h)anthracene-5,6:12,13-bisimine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenz(a,h)anthracene-5,6:12,13-bisimine. With a topological polar surface area (TPSA) of 43.9 Ų, Dibenz(a,h)anthracene-5,6:12,13-bisimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenz(a,h)anthracene-5,6:12,13-bisimine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibenz(a,h)anthracene-5,6:12,13-bisimine?
The CAS number of Dibenz(a,h)anthracene-5,6:12,13-bisimine is 80984-67-4.
What is the molecular formula of Dibenz(a,h)anthracene-5,6:12,13-bisimine?
The molecular formula of Dibenz(a,h)anthracene-5,6:12,13-bisimine is C22H16N2.
What is the molecular weight of Dibenz(a,h)anthracene-5,6:12,13-bisimine?
The molecular weight of Dibenz(a,h)anthracene-5,6:12,13-bisimine is 308.13 g/mol.
Where can I buy Dibenz(a,h)anthracene-5,6:12,13-bisimine?
You can request a quote for Dibenz(a,h)anthracene-5,6:12,13-bisimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenz(a,h)anthracene-5,6:12,13-bisimine?
Yes, KEHONG BIO provides custom synthesis services for Dibenz(a,h)anthracene-5,6:12,13-bisimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.