Heptafluoroisoquinoline
TL;DR: Heptafluoroisoquinoline (CAS 13180-39-7) is a chemical compound with molecular formula C9F7N and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4,5,6,7,8-heptafluoroisoquinoline
Also Known As: Heptafluoroisoquinoline, Perfluoroisoquinoline, Isoquinoline,heptafluoro-, Isoquinoline, heptafluoro-, 1,3,4,5,6,7,8-heptafluoroisoquinoline
| Molecular Formula | C9F7N |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.9919 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 13180-39-7 |
|---|---|
| SMILES | C12=C(C(=C(C(=C1F)F)F)F)C(=NC(=C2F)F)F |
| InChIKey | XQRRSUIMAAZUTJ-UHFFFAOYSA-N |
Product Overview
Heptafluoroisoquinoline (CAS 13180-39-7), with molecular formula C9F7N and molecular weight 254.99 g/mol. IUPAC: 1,3,4,5,6,7,8-heptafluoroisoquinoline.
Chemical Property Profile of Heptafluoroisoquinoline
Property Insights of Heptafluoroisoquinoline
The XLogP value of 3.5 indicates that Heptafluoroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, Heptafluoroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluoroisoquinoline has 0 hydrogen bond donor(s) and 8 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 Heptafluoroisoquinoline?
The CAS number of Heptafluoroisoquinoline is 13180-39-7.
What is the molecular formula of Heptafluoroisoquinoline?
The molecular formula of Heptafluoroisoquinoline is C9F7N.
What is the molecular weight of Heptafluoroisoquinoline?
The molecular weight of Heptafluoroisoquinoline is 254.99 g/mol.
Where can I buy Heptafluoroisoquinoline?
You can request a quote for Heptafluoroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptafluoroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for Heptafluoroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.