RefChem:1064417
TL;DR: RefChem:1064417 (CAS 125810-89-1) is a chemical compound with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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)
| Molecular Formula | C14H17N3OS2 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.3834 |
| Topological Polar Surface Area | 58.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.0813 |
| Heavy Atoms | 20 |
| Complexity | 544.7751 |
Chemical Identifiers
| CAS Number | 125810-89-1 |
|---|---|
| SMILES | C1CCC2(CC1)N(N=C(S2)N)/C=C/C(=O)C3=CC=CS3 |
Product Overview
RefChem:1064417 (CAS 125810-89-1), with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol. IUPAC: (E)-3-(2-amino-1-thia-3,4-diazaspiro[4.5]dec-2-en-4-yl)-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of RefChem:1064417
Property Insights of RefChem:1064417
The XLogP value of 3.3834 indicates that RefChem:1064417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.69 Ų, RefChem:1064417 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1064417 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 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 307.08 g/mol.
Where can I buy RefChem:1064417?
You can request a quote for RefChem:1064417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064417?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.