(E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one
TL;DR: (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one (CAS 52687-69-1) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-phenylsulfanylpent-3-en-2-one
Also Known As: 4-amino-3-phenylsulfanylpent-3-en-2-one, 4-amino-3-phenylsulfanyl-pent-3-en-2-one, (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 2.5579 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 352.8101 |
Chemical Identifiers
| CAS Number | 52687-69-1 |
|---|---|
| SMILES | CC(=C(C(=O)C)SC1=CC=CC=C1)N |
Product Overview
(E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one (CAS 52687-69-1), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: 4-amino-3-phenylsulfanylpent-3-en-2-one.
Chemical Property Profile of (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one
Property Insights of (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one
The XLogP value of 2.5579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one. With a topological polar surface area (TPSA) of 43.09 Ų, (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one 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 (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one?
The CAS number of (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one is 52687-69-1.
What is the molecular formula of (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one?
The molecular formula of (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one is C11H13NOS.
What is the molecular weight of (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one?
The molecular weight of (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one is 207.07 g/mol.
Where can I buy (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one?
You can request a quote for (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-amino-3-(phenylsulfanyl)-3-penten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.