3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide
TL;DR: 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide (CAS 547709-31-9) is a chemical compound with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide
Also Known As: 3,3'-sulfanediylbis[N-(prop-2-en-1-yl)propanamide], 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide, N-prop-2-enyl-3-[2-(N-prop-2-enylcarbamoyl)ethylthio]propanamide, N-prop-2-enyl-3-[2-(prop-2-enylcarbamoyl)ethylsulfanyl]propanamide, N-(PROP-2-EN-1-YL)-3-({2-[(PROP-2-EN-1-YL)CARBAMOYL]ETHYL}SULFANYL)PROPANAMIDE
| Molecular Formula | C12H20N2O2S |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 1.1042 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 256.12454 |
| Heavy Atoms | 17 |
| Complexity | 241.23125 |
Chemical Identifiers
| CAS Number | 547709-31-9 |
|---|---|
| SMILES | C=CCNC(=O)CCSCCC(=O)NCC=C |
Product Overview
3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide (CAS 547709-31-9), with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol. IUPAC: 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide.
Chemical Property Profile of 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide
Property Insights of 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide
The XLogP value of 1.1042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide. With a topological polar surface area (TPSA) of 58.2 Ų, 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide has 2 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 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide?
The CAS number of 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide is 547709-31-9.
What is the molecular formula of 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide?
The molecular formula of 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide is C12H20N2O2S.
What is the molecular weight of 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide?
The molecular weight of 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide is 256.12 g/mol.
Where can I buy 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide?
You can request a quote for 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-oxo-3-(prop-2-enylamino)propyl]sulfanyl-N-prop-2-enylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.