1-Pyreneisothiocyanate
TL;DR: 1-Pyreneisothiocyanate (CAS 24722-90-5) is a chemical compound with molecular formula C17H9NS and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanatopyrene
Also Known As: 1-isothiocyanatopyrene, 1-Pyreneisothiocyanate, pyrene ITC, 1-Pyrene ITC, Pyrene, 1-isothiocyanato-
| Molecular Formula | C17H9NS |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 5.3183 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.04556 |
| Heavy Atoms | 19 |
| Complexity | 949.09735 |
Chemical Identifiers
| CAS Number | 24722-90-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N=C=S |
Product Overview
1-Pyreneisothiocyanate (CAS 24722-90-5), with molecular formula C17H9NS and molecular weight 259.05 g/mol. IUPAC: 1-isothiocyanatopyrene.
Chemical Property Profile of 1-Pyreneisothiocyanate
Property Insights of 1-Pyreneisothiocyanate
The XLogP value of 5.3183 indicates that 1-Pyreneisothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 1-Pyreneisothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyreneisothiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Pyreneisothiocyanate?
The CAS number of 1-Pyreneisothiocyanate is 24722-90-5.
What is the molecular formula of 1-Pyreneisothiocyanate?
The molecular formula of 1-Pyreneisothiocyanate is C17H9NS.
What is the molecular weight of 1-Pyreneisothiocyanate?
The molecular weight of 1-Pyreneisothiocyanate is 259.05 g/mol.
Where can I buy 1-Pyreneisothiocyanate?
You can request a quote for 1-Pyreneisothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyreneisothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyreneisothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.