TAT-ENA-80bfd3e5-7
TL;DR: TAT-ENA-80bfd3e5-7 (CAS 854357-44-1) is a chemical compound with molecular formula C15H17ClN4OS and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(1,5-dicyano-4-methylsulfanyl-3-azaspiro[5.5]undeca-1,4-dien-2-yl)acetamide
Also Known As: TAT-ENA-80bfd3e5-7, 2-CHLORO-N-[1,5-DICYANO-4-(METHYLSULFANYL)-3-AZASPIRO[5.5]UNDECA-1,4-DIEN-2-YL]ACETAMIDE, 2-chloro-N-[1,5-dicyano-4-(methylthio)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]acetamide, 2-chloro-N-(1,5-dicyano-4-methylsulfanyl-3-azaspiro[5.5]undeca-1,4-dien-2-yl)acetamide, 2-chloro-N-(7,11-dicyano-10-methylsulfanyl-9-azaspiro[5.5]undeca-7,10-dien-8-yl)acetamide
| Molecular Formula | C15H17ClN4OS |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 2.72846 |
| Topological Polar Surface Area | 88.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.08115 |
| Heavy Atoms | 22 |
| Complexity | 620.43414 |
Chemical Identifiers
| CAS Number | 854357-44-1 |
|---|---|
| SMILES | CSC1=C(C2(CCCCC2)C(=C(N1)NC(=O)CCl)C#N)C#N |
Product Overview
TAT-ENA-80bfd3e5-7 (CAS 854357-44-1), with molecular formula C15H17ClN4OS and molecular weight 336.08 g/mol. IUPAC: 2-chloro-N-(1,5-dicyano-4-methylsulfanyl-3-azaspiro[5.5]undeca-1,4-dien-2-yl)acetamide.
Chemical Property Profile of TAT-ENA-80bfd3e5-7
Property Insights of TAT-ENA-80bfd3e5-7
The XLogP value of 2.72846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TAT-ENA-80bfd3e5-7. The TPSA of 88.71 Ų falls within the moderate polarity range, balancing permeability and solubility for TAT-ENA-80bfd3e5-7. Following Lipinski's Rule of Five, TAT-ENA-80bfd3e5-7 has 2 hydrogen bond donor(s) and 5 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 TAT-ENA-80bfd3e5-7?
The CAS number of TAT-ENA-80bfd3e5-7 is 854357-44-1.
What is the molecular formula of TAT-ENA-80bfd3e5-7?
The molecular formula of TAT-ENA-80bfd3e5-7 is C15H17ClN4OS.
What is the molecular weight of TAT-ENA-80bfd3e5-7?
The molecular weight of TAT-ENA-80bfd3e5-7 is 336.08 g/mol.
Where can I buy TAT-ENA-80bfd3e5-7?
You can request a quote for TAT-ENA-80bfd3e5-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TAT-ENA-80bfd3e5-7?
Yes, KEHONG BIO provides custom synthesis services for TAT-ENA-80bfd3e5-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.