CTK4B8549
TL;DR: CTK4B8549 (CAS 133472-23-8) is a chemical compound with molecular formula C15H16BrFO2 and molecular weight 326.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-methyl (1S,3S)-3-[2-bromo-2-(4-fluorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-(2-bromo-2-(4-fluorophenyl)ethenyl)-2,2-dimethyl-, methyl ester, (1alpha,3alpha(Z))-, METHYL (1S,3S)-3-[(Z)-2-BROMO-2-(4-FLUOROPHENYL)VINYL]-2,2-DIMETHYL-CYCLOPROPANE-1-CARBOXYLATE
| Molecular Formula | C15H16BrFO2 |
|---|---|
| Molecular Weight | 326.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.03177 |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 133472-23-8 |
|---|---|
| SMILES | CC1([C@@H]([C@@H]1C(=O)OC)C=C(C2=CC=C(C=C2)F)Br)C |
| InChIKey | SCNKFSSROHXHMC-DGCLKSJQSA-N |
Product Overview
CTK4B8549 (CAS 133472-23-8), with molecular formula C15H16BrFO2 and molecular weight 326.03 g/mol. IUPAC: trans-methyl (1S,3S)-3-[2-bromo-2-(4-fluorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of CTK4B8549
Property Insights of CTK4B8549
The XLogP value of 4.6 indicates that CTK4B8549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, CTK4B8549 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK4B8549 has 0 hydrogen bond donor(s) and 3 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 CTK4B8549?
The CAS number of CTK4B8549 is 133472-23-8.
What is the molecular formula of CTK4B8549?
The molecular formula of CTK4B8549 is C15H16BrFO2.
What is the molecular weight of CTK4B8549?
The molecular weight of CTK4B8549 is 326.03 g/mol.
Where can I buy CTK4B8549?
You can request a quote for CTK4B8549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4B8549?
Yes, KEHONG BIO provides custom synthesis services for CTK4B8549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.