Cloflubicyne
TL;DR: Cloflubicyne (CAS 82947-62-4) is a chemical compound with molecular formula C11H6Cl2F6N2 and molecular weight 349.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,5S,6R)-5,6-dichloro-3,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile
Also Known As: Cloflubicyne, Cloflubicyne, >=95% (NMR), solid, Norbornane, 5,6-dichloro-2,2-dicyano-3,3-bis(trifluoromethyl)-, Bicyclo(2.2.1)heptane-2,2-dicarbonitrile, 3,3-bis(trifluoromethyl)-5,6-dichloro-, (exo,exo)-, 5,6-Dichloro-3,3-bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile (exo,exo)-
| Molecular Formula | C11H6Cl2F6N2 |
|---|---|
| Molecular Weight | 349.98 g/mol |
| LogP | 3.99546 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 349.98123 |
| Heavy Atoms | 21 |
| Complexity | 514.8776 |
Chemical Identifiers
| CAS Number | 82947-62-4 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@H]([C@H]1C(C2(C#N)C#N)(C(F)(F)F)C(F)(F)F)Cl)Cl |
Product Overview
Cloflubicyne (CAS 82947-62-4), with molecular formula C11H6Cl2F6N2 and molecular weight 349.98 g/mol. IUPAC: (1S,4R,5S,6R)-5,6-dichloro-3,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile.
Chemical Property Profile of Cloflubicyne
Property Insights of Cloflubicyne
The XLogP value of 3.99546 indicates that Cloflubicyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, Cloflubicyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cloflubicyne has 0 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 Cloflubicyne?
The CAS number of Cloflubicyne is 82947-62-4.
What is the molecular formula of Cloflubicyne?
The molecular formula of Cloflubicyne is C11H6Cl2F6N2.
What is the molecular weight of Cloflubicyne?
The molecular weight of Cloflubicyne is 349.98 g/mol.
Where can I buy Cloflubicyne?
You can request a quote for Cloflubicyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cloflubicyne?
Yes, KEHONG BIO provides custom synthesis services for Cloflubicyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.