C12H4ClF17N2
TL;DR: C12H4ClF17N2 (CAS 232587-49-4) is a chemical compound with molecular formula C12H4ClF17N2 and molecular weight 533.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-methyl-1H-pyrazole
Also Known As: 4-chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-methyl-1H-pyrazole, 4-Chloro-5(3)-methyl-3(5)-(perfluorooctyl)pyrazole, 4-CHLORO-5-METHYL-3-(PERFLUOROOCTYL)PYRAZOLE, 4-chloro-3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole, 4-Chloro-5-methyl-3-(perfluorooctyl)-1H-pyrazole
| Molecular Formula | C12H4ClF17N2 |
|---|---|
| Molecular Weight | 533.98 g/mol |
| LogP | 6.83742 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.9791 |
| Heavy Atoms | 32 |
| Complexity | 852.2036 |
Chemical Identifiers
| CAS Number | 232587-49-4 |
|---|---|
| SMILES | CC1=C(C(=NN1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl |
Product Overview
C12H4ClF17N2 (CAS 232587-49-4), with molecular formula C12H4ClF17N2 and molecular weight 533.98 g/mol. IUPAC: 4-chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-methyl-1H-pyrazole.
Chemical Property Profile of C12H4ClF17N2
Property Insights of C12H4ClF17N2
The XLogP value of 6.83742 indicates that C12H4ClF17N2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, C12H4ClF17N2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H4ClF17N2 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C12H4ClF17N2?
The CAS number of C12H4ClF17N2 is 232587-49-4.
What is the molecular formula of C12H4ClF17N2?
The molecular formula of C12H4ClF17N2 is C12H4ClF17N2.
What is the molecular weight of C12H4ClF17N2?
The molecular weight of C12H4ClF17N2 is 533.98 g/mol.
Where can I buy C12H4ClF17N2?
You can request a quote for C12H4ClF17N2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H4ClF17N2?
Yes, KEHONG BIO provides custom synthesis services for C12H4ClF17N2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.