CTK7I5401
TL;DR: CTK7I5401 (CAS 232602-80-1) is a chemical compound with molecular formula C5H3BrClF3O2 and molecular weight 265.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-chloro-4,5,5-trifluoropent-2-enoic acid
Also Known As: 5-Bromo-4-chloro-4,5,5-trifluoropent-2-enoic acid, CID 2736243
| Molecular Formula | C5H3BrClF3O2 |
|---|---|
| Molecular Weight | 265.90 g/mol |
| LogP | 2.5195 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.8957 |
| Heavy Atoms | 12 |
| Complexity | 211.2291 |
Chemical Identifiers
| CAS Number | 232602-80-1 |
|---|---|
| SMILES | C(=CC(C(F)(F)Br)(F)Cl)C(=O)O |
Product Overview
CTK7I5401 (CAS 232602-80-1), with molecular formula C5H3BrClF3O2 and molecular weight 265.90 g/mol. IUPAC: 5-bromo-4-chloro-4,5,5-trifluoropent-2-enoic acid.
Chemical Property Profile of CTK7I5401
Property Insights of CTK7I5401
The XLogP value of 2.5195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK7I5401. With a topological polar surface area (TPSA) of 37.3 Ų, CTK7I5401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK7I5401 has 1 hydrogen bond donor(s) and 1 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 CTK7I5401?
The CAS number of CTK7I5401 is 232602-80-1.
What is the molecular formula of CTK7I5401?
The molecular formula of CTK7I5401 is C5H3BrClF3O2.
What is the molecular weight of CTK7I5401?
The molecular weight of CTK7I5401 is 265.90 g/mol.
Where can I buy CTK7I5401?
You can request a quote for CTK7I5401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK7I5401?
Yes, KEHONG BIO provides custom synthesis services for CTK7I5401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.