CTK5H4953
TL;DR: CTK5H4953 (CAS 94094-55-0) is a chemical compound with molecular formula C20H16F3NO5 and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-hydroxy-3-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]anilino]-4-oxobutanoic acid
Also Known As: 4-(4-Hydroxy-3-{3-[3-(trifluoromethyl)phenyl]prop-2-enoyl}anilino)-4-oxobutanoic acid, 4-[[4-Hydroxy-3-[1-oxo-3-[3-(trifluoromethyl)phenyl]-2-propen-1-yl]phenyl]amino]-4-oxobutanoic acid, 4-[[4-HYDROXY-3-[1-OXO-3-[3-(TRIFLUOROMETHYL)PHENYL]ALLYL]PHENYL]AMINO]-4-OXOBUTYRIC ACID
| Molecular Formula | C20H16F3NO5 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 4.1104 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.09805 |
| Heavy Atoms | 29 |
| Complexity | 966.8293 |
Chemical Identifiers
| CAS Number | 94094-55-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)O)O |
Product Overview
CTK5H4953 (CAS 94094-55-0), with molecular formula C20H16F3NO5 and molecular weight 407.10 g/mol. IUPAC: 4-[4-hydroxy-3-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of CTK5H4953
Property Insights of CTK5H4953
The XLogP value of 4.1104 indicates that CTK5H4953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5H4953. Following Lipinski's Rule of Five, CTK5H4953 has 3 hydrogen bond donor(s) and 4 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 CTK5H4953?
The CAS number of CTK5H4953 is 94094-55-0.
What is the molecular formula of CTK5H4953?
The molecular formula of CTK5H4953 is C20H16F3NO5.
What is the molecular weight of CTK5H4953?
The molecular weight of CTK5H4953 is 407.10 g/mol.
Where can I buy CTK5H4953?
You can request a quote for CTK5H4953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5H4953?
Yes, KEHONG BIO provides custom synthesis services for CTK5H4953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.