N-烯丙基-2-烯丙硫基-2-乙基丁酰胺
TL;DR: N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 (CAS 66859-77-6) is a chemical compound with molecular formula C12H21NOS and molecular weight 227.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-烯丙基-2-烯丙硫基-2-乙基丁酰胺
2-ethyl-N-prop-2-enyl-2-prop-2-enylsulfanylbutanamide
Also Known As: N-Allyl-2-allylthio-2-ethylbutyramide, BUTYRAMIDE, N-ALLYL-2-ALLYLTHIO-2-ETHYL-, 4-04-00-01084 (Beilstein Handbook Reference), 2-ethyl-N-prop-2-enyl-2-prop-2-enylsulfanylbutanamide, Butanamide, 2-ethyl-N-2-propenyl-2-(2-propenylthio)-
| Molecular Formula | C12H21NOS |
|---|---|
| Molecular Weight | 227.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 227.13438 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 66859-77-6 |
|---|---|
| SMILES | CCC(CC)(C(=O)NCC=C)SCC=C |
| InChIKey | YCMQWLGVGITCDP-UHFFFAOYSA-N |
Product Overview
N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 (CAS 66859-77-6), with molecular formula C12H21NOS and molecular weight 227.13 g/mol. IUPAC: 2-ethyl-N-prop-2-enyl-2-prop-2-enylsulfanylbutanamide.
Chemical Property Profile of N-烯丙基-2-烯丙硫基-2-乙基丁酰胺
Property Insights of N-烯丙基-2-烯丙硫基-2-乙基丁酰胺
The XLogP value of 3.2 indicates that N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 has 1 hydrogen bond donor(s) and 2 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 N-烯丙基-2-烯丙硫基-2-乙基丁酰胺?
The CAS number of N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 is 66859-77-6.
What is the molecular formula of N-烯丙基-2-烯丙硫基-2-乙基丁酰胺?
The molecular formula of N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 is C12H21NOS.
What is the molecular weight of N-烯丙基-2-烯丙硫基-2-乙基丁酰胺?
The molecular weight of N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 is 227.13 g/mol.
Where can I buy N-烯丙基-2-烯丙硫基-2-乙基丁酰胺?
You can request a quote for N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-烯丙基-2-烯丙硫基-2-乙基丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-烯丙基-2-烯丙硫基-2-乙基丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.