2-acetyl-3-anilino-N-methylbut-2-enethioamide
TL;DR: 2-acetyl-3-anilino-N-methylbut-2-enethioamide (CAS 62070-17-1) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3-anilino-N-methylbut-2-enethioamide
Also Known As: 2-acetyl-3-anilino-N-methylbut-2-enethioamide, (E)-2-acetyl-3-anilino-N-methylbut-2-enethioamide
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.5083 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 451.74707 |
Chemical Identifiers
| CAS Number | 62070-17-1 |
|---|---|
| SMILES | CC(=C(C(=O)C)C(=S)NC)NC1=CC=CC=C1 |
Product Overview
2-acetyl-3-anilino-N-methylbut-2-enethioamide (CAS 62070-17-1), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: 2-acetyl-3-anilino-N-methylbut-2-enethioamide.
Chemical Property Profile of 2-acetyl-3-anilino-N-methylbut-2-enethioamide
Property Insights of 2-acetyl-3-anilino-N-methylbut-2-enethioamide
The XLogP value of 2.5083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-acetyl-3-anilino-N-methylbut-2-enethioamide. With a topological polar surface area (TPSA) of 41.13 Ų, 2-acetyl-3-anilino-N-methylbut-2-enethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetyl-3-anilino-N-methylbut-2-enethioamide 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 2-acetyl-3-anilino-N-methylbut-2-enethioamide?
The CAS number of 2-acetyl-3-anilino-N-methylbut-2-enethioamide is 62070-17-1.
What is the molecular formula of 2-acetyl-3-anilino-N-methylbut-2-enethioamide?
The molecular formula of 2-acetyl-3-anilino-N-methylbut-2-enethioamide is C13H16N2OS.
What is the molecular weight of 2-acetyl-3-anilino-N-methylbut-2-enethioamide?
The molecular weight of 2-acetyl-3-anilino-N-methylbut-2-enethioamide is 248.10 g/mol.
Where can I buy 2-acetyl-3-anilino-N-methylbut-2-enethioamide?
You can request a quote for 2-acetyl-3-anilino-N-methylbut-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetyl-3-anilino-N-methylbut-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-3-anilino-N-methylbut-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.