RefChem:1064417
TL;DR: RefChem:1064417 (CAS 125810-89-1) is a chemical compound with molecular formula C14H17N3OS2 and molecular weight 307.0813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-amino-1-thia-3,4-diazaspiro[4.5]dec-2-en-4-yl)-1-thiophen-2-ylprop-2-en-1-one
Also Known As: 2-Propen-1-one, 3-(3-amino-4-thia-1,2-diazaspiro(4,5)dec-2-en-1-yl)-1-(2-thienyl)-, 3-(3-Amino-4-thia-1,2-diazaspiro(4,5)dec-2-en-1-yl)-1-(2-thienyl)-2-propen-1-one, (E)-3-(2-amino-1-thia-3,4-diazaspiro[4.5]dec-2-en-4-yl)-1-thiophen-2-ylprop-2-en-1-one, (E)-3-(3-amino-4-thia-1,2-diazaspiro[4.5]dec-2-en-1-yl)-1-thiophen-2-ylprop-2-en-1-one, 2-Propen-1-one,3-(3-amino-4-thia-1,2-diazaspiro(4,5)dec-2-en-1-yl)-1-(2-thienyl)
Technical Specifications
| Molecular Formula | C14H17N3OS2 |
| Molecular Weight | 307.0813 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.0813 Da |
| Heavy Atoms | 20 |
| Complexity | 444.0 |
| SMILES | C1CCC2(CC1)N(N=C(S2)N)/C=C/C(=O)C3=CC=CS3 |
| InChIKey | WZFAHYFCSLMIPC-RMKNXTFCSA-N |
Chemical Property Profile of RefChem:1064417
Property Insights of RefChem:1064417
The XLogP value of 3.6 indicates that RefChem:1064417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064417. Following Lipinski's Rule of Five, RefChem:1064417 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1064417?
The CAS number of RefChem:1064417 is 125810-89-1.
What is the molecular formula of RefChem:1064417?
The molecular formula of RefChem:1064417 is C14H17N3OS2.
What is the molecular weight of RefChem:1064417?
The molecular weight of RefChem:1064417 is 307.0813 g/mol.
Where can I buy RefChem:1064417?
You can request a quote for RefChem:1064417 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1064417?
Yes, CoreyChem provides custom synthesis services for RefChem:1064417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.