CTK2H8637
TL;DR: CTK2H8637 (CAS 76703-63-4) is a chemical compound with molecular formula C23H19ClF3NO3 and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-((1Z)-2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-
| Molecular Formula | C23H19ClF3NO3 |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.10056 |
| Heavy Atoms | 31 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 76703-63-4 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C |
| InChIKey | ZXQYGBMAQZUVMI-BJLQDIEVSA-N |
Product Overview
CTK2H8637 (CAS 76703-63-4), with molecular formula C23H19ClF3NO3 and molecular weight 449.10 g/mol. IUPAC: trans-[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of CTK2H8637
Property Insights of CTK2H8637
The XLogP value of 6.1 indicates that CTK2H8637 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, CTK2H8637 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK2H8637 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK2H8637?
The CAS number of CTK2H8637 is 76703-63-4.
What is the molecular formula of CTK2H8637?
The molecular formula of CTK2H8637 is C23H19ClF3NO3.
What is the molecular weight of CTK2H8637?
The molecular weight of CTK2H8637 is 449.10 g/mol.
Where can I buy CTK2H8637?
You can request a quote for CTK2H8637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2H8637?
Yes, KEHONG BIO provides custom synthesis services for CTK2H8637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.