Chrysene-5,6-imine
TL;DR: Chrysene-5,6-imine (CAS 132335-15-0) is a chemical compound with molecular formula C18H13N and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-azapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
Also Known As: Chrysene-5,6-imine, Ch-I mutagen, 5,6-Dihydro-5,6-epiminochrysene, 1a,11c-Dihydro-1H-chryseno(5,6-b)azirine, 1a,11c-Dihydrochryseno<5,6-b>azirine
| Molecular Formula | C18H13N |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 21.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.1048 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 132335-15-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C4C(N4)C5=CC=CC=C35 |
| InChIKey | ZRCKOBPZOSBFAT-UHFFFAOYSA-N |
Product Overview
Chrysene-5,6-imine (CAS 132335-15-0), with molecular formula C18H13N and molecular weight 243.10 g/mol. IUPAC: 3-azapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene.
Chemical Property Profile of Chrysene-5,6-imine
Property Insights of Chrysene-5,6-imine
The XLogP value of 3.6 indicates that Chrysene-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, Chrysene-5,6-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chrysene-5,6-imine has 1 hydrogen bond donor(s) and 1 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 Chrysene-5,6-imine?
The CAS number of Chrysene-5,6-imine is 132335-15-0.
What is the molecular formula of Chrysene-5,6-imine?
The molecular formula of Chrysene-5,6-imine is C18H13N.
What is the molecular weight of Chrysene-5,6-imine?
The molecular weight of Chrysene-5,6-imine is 243.10 g/mol.
Where can I buy Chrysene-5,6-imine?
You can request a quote for Chrysene-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 Chrysene-5,6-imine?
Yes, KEHONG BIO provides custom synthesis services for Chrysene-5,6-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.