CTK5H9194
TL;DR: CTK5H9194 (CAS 97259-81-9) is a chemical compound with molecular formula C15H10F17NO4 and molecular weight 591.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]-4-oxobut-2-enoic acid
Also Known As: EINECS 306-444-4, 4-Oxo-4-[(3-(perfluorooctyl)-2-hydroxypropyl)amino]-(Z)-2-butenoic acid, 4-OXO-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-HEPTADECAFLUORO-2-HYDROXYUNDECYL)AMINO]ISOCROTONIC ACID, 4-Oxo-4-((4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino)isocrotonic acid
| Molecular Formula | C15H10F17NO4 |
|---|---|
| Molecular Weight | 591.03 g/mol |
| LogP | 4.5038 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 591.0338 |
| Heavy Atoms | 37 |
| Complexity | 880.4139 |
Chemical Identifiers
| CAS Number | 97259-81-9 |
|---|---|
| SMILES | C(C(CNC(=O)C=CC(=O)O)O)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 |
Product Overview
CTK5H9194 (CAS 97259-81-9), with molecular formula C15H10F17NO4 and molecular weight 591.03 g/mol. IUPAC: 4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of CTK5H9194
Property Insights of CTK5H9194
The XLogP value of 4.5038 indicates that CTK5H9194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5H9194. Following Lipinski's Rule of Five, CTK5H9194 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5H9194?
The CAS number of CTK5H9194 is 97259-81-9.
What is the molecular formula of CTK5H9194?
The molecular formula of CTK5H9194 is C15H10F17NO4.
What is the molecular weight of CTK5H9194?
The molecular weight of CTK5H9194 is 591.03 g/mol.
Where can I buy CTK5H9194?
You can request a quote for CTK5H9194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5H9194?
Yes, KEHONG BIO provides custom synthesis services for CTK5H9194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.