CTK5D3766
TL;DR: CTK5D3766 (CAS 71250-50-5) is a chemical compound with molecular formula C22H30N4O2 and molecular weight 382.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-cyano-2-[5-[(5-cyano-4,4,5-trimethylpyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-ylidene]acetate
Also Known As: Acetic acid,cyano[5-[(2-cyano-3,4-dihydro-2,3,3-trimethyl-2H-pyrrol-5-yl)methylene]-4,4-dimethyl-2-pyrrolidinylidene]-,1,1-dimethylethyl ester (9CI)
| Molecular Formula | C22H30N4O2 |
|---|---|
| Molecular Weight | 382.24 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.23688 |
| Heavy Atoms | 28 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 71250-50-5 |
|---|---|
| SMILES | CC1(CC(=C(C#N)C(=O)OC(C)(C)C)N=C1C=C2CC(C(N2)(C)C#N)(C)C)C |
| InChIKey | SUOWCPKQBMSGBA-UHFFFAOYSA-N |
Product Overview
CTK5D3766 (CAS 71250-50-5), with molecular formula C22H30N4O2 and molecular weight 382.24 g/mol. IUPAC: tert-butyl 2-cyano-2-[5-[(5-cyano-4,4,5-trimethylpyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-ylidene]acetate.
Chemical Property Profile of CTK5D3766
Property Insights of CTK5D3766
The XLogP value of 3.4 indicates that CTK5D3766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5D3766. Following Lipinski's Rule of Five, CTK5D3766 has 1 hydrogen bond donor(s) and 6 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 CTK5D3766?
The CAS number of CTK5D3766 is 71250-50-5.
What is the molecular formula of CTK5D3766?
The molecular formula of CTK5D3766 is C22H30N4O2.
What is the molecular weight of CTK5D3766?
The molecular weight of CTK5D3766 is 382.24 g/mol.
Where can I buy CTK5D3766?
You can request a quote for CTK5D3766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5D3766?
Yes, KEHONG BIO provides custom synthesis services for CTK5D3766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.