Pyrene-1,2:6,7-bisimine
TL;DR: Pyrene-1,2:6,7-bisimine (CAS 80984-66-3) is a chemical compound with molecular formula C16H12N2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,11-diazahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(17),5(18),6,8,13,15-hexaene
Also Known As: Pyrene-1,2:6,7-bisimine, 3b,4,4a,7b,8,8a-Hexahydropyreno(4,5-b:9,10-b')bisazirine, Pyreno(4,5-b:9,10-b')bisazirine, 3b,4,4a,7b,8,8a-hexahydro-, 3b,4,4a,7b,8,8a-hexahydropyreno[10,9-b:4,5-b']bisazirene, 3b,4,4a,7b,8,8a-Hexahydropyreno[10,9-b:4,5-b']bisazirine
| Molecular Formula | C16H12N2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.10005 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 80984-66-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4C(N4)C5=CC=CC(=C53)C6C2N6 |
| InChIKey | XTXDCYVRZVNRDU-UHFFFAOYSA-N |
Product Overview
Pyrene-1,2:6,7-bisimine (CAS 80984-66-3), with molecular formula C16H12N2 and molecular weight 232.10 g/mol. IUPAC: 3,11-diazahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(17),5(18),6,8,13,15-hexaene.
Chemical Property Profile of Pyrene-1,2:6,7-bisimine
Property Insights of Pyrene-1,2:6,7-bisimine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrene-1,2:6,7-bisimine. With a topological polar surface area (TPSA) of 43.9 Ų, Pyrene-1,2:6,7-bisimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrene-1,2:6,7-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 Pyrene-1,2:6,7-bisimine?
The CAS number of Pyrene-1,2:6,7-bisimine is 80984-66-3.
What is the molecular formula of Pyrene-1,2:6,7-bisimine?
The molecular formula of Pyrene-1,2:6,7-bisimine is C16H12N2.
What is the molecular weight of Pyrene-1,2:6,7-bisimine?
The molecular weight of Pyrene-1,2:6,7-bisimine is 232.10 g/mol.
Where can I buy Pyrene-1,2:6,7-bisimine?
You can request a quote for Pyrene-1,2:6,7-bisimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrene-1,2:6,7-bisimine?
Yes, KEHONG BIO provides custom synthesis services for Pyrene-1,2:6,7-bisimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.