CTK3E9464
TL;DR: CTK3E9464 (CAS 80855-73-8) is a chemical compound with molecular formula C27H29NO5 and molecular weight 447.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-2,2-dimethyl-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-((1Z)-3-(1,1-dimethylethoxy)-3-oxo-1-propenyl)-2,2-dimethyl-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)-
| Molecular Formula | C27H29NO5 |
|---|---|
| Molecular Weight | 447.20 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 447.20456 |
| Heavy Atoms | 33 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 80855-73-8 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=CC(=O)OC(C)(C)C)C |
| InChIKey | ZKSDXGULOGNJAQ-ZDXQCDESSA-N |
Product Overview
CTK3E9464 (CAS 80855-73-8), with molecular formula C27H29NO5 and molecular weight 447.20 g/mol. IUPAC: trans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-2,2-dimethyl-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]cyclopropane-1-carboxylate.
Chemical Property Profile of CTK3E9464
Property Insights of CTK3E9464
The XLogP value of 5.4 indicates that CTK3E9464 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3E9464. Following Lipinski's Rule of Five, CTK3E9464 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3E9464?
The CAS number of CTK3E9464 is 80855-73-8.
What is the molecular formula of CTK3E9464?
The molecular formula of CTK3E9464 is C27H29NO5.
What is the molecular weight of CTK3E9464?
The molecular weight of CTK3E9464 is 447.20 g/mol.
Where can I buy CTK3E9464?
You can request a quote for CTK3E9464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9464?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.