1-(2-(Diethylamino)ethylthio)-3-buten-2-OL
TL;DR: 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL (CAS 39159-35-8) is a chemical compound with molecular formula C10H21NOS and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethylsulfanyl]but-3-en-2-ol
Also Known As: 1-(2-diethylaminoethylsulfanyl)but-3-en-2-ol, 1-(2-(DIETHYLAMINO)ETHYLTHIO)-3-BUTEN-2-OL, 1-((2-(Diethylamino)ethyl)thio)but-3-en-2-ol, 1-(2-diethylamino-ethylsulfanyl)-but-3-en-2-ol, 661-122-3
| Molecular Formula | C10H21NOS |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 1.6083 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 203.13438 |
| Heavy Atoms | 13 |
| Complexity | 126.093155 |
Chemical Identifiers
| CAS Number | 39159-35-8 |
|---|---|
| SMILES | CCN(CC)CCSCC(C=C)O |
Product Overview
1-(2-(Diethylamino)ethylthio)-3-buten-2-OL (CAS 39159-35-8), with molecular formula C10H21NOS and molecular weight 203.13 g/mol. IUPAC: 1-[2-(diethylamino)ethylsulfanyl]but-3-en-2-ol.
Chemical Property Profile of 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL
Property Insights of 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL
The XLogP value of 1.6083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL. With a topological polar surface area (TPSA) of 23.47 Ų, 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL has 1 hydrogen bond donor(s) and 3 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 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL?
The CAS number of 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL is 39159-35-8.
What is the molecular formula of 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL?
The molecular formula of 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL is C10H21NOS.
What is the molecular weight of 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL?
The molecular weight of 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL is 203.13 g/mol.
Where can I buy 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL?
You can request a quote for 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Diethylamino)ethylthio)-3-buten-2-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.