2-acetylamino-3-indol-3-yl-acrylamide
TL;DR: 2-acetylamino-3-indol-3-yl-acrylamide (CAS 64036-47-1) is a chemical compound with molecular formula C19H17NOS and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-sulfanylidenespiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
Also Known As: 2-acetylamino-3-indol-3-yl-acrylamide, Spiro(5H-dibenzo(a,d)cycloheptene-5,3'-piperidin)-6'-one, 10,11-dihydro-2'-thioxo-, Spiro(dibenzo(a,d)cycloheptadiene-5,3'-piperidin)-6'-one-2'-thione, 10,11-Dihydro-2'-thioxospiro[5H-dibenzo[a,d]cycloheptene-5,3'-piperidin]-6'-one, 10,11-Dihydro-2 -thioxospiro[5H-dibenzo[a,d]cycloheptene-5,3 -piperidin]-6 -one
| Molecular Formula | C19H17NOS |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 3.3087 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 307.1031 |
| Heavy Atoms | 22 |
| Complexity | 733.0096 |
Chemical Identifiers
| CAS Number | 64036-47-1 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C3(CCC(=O)NC3=S)C4=CC=CC=C41 |
Product Overview
2-acetylamino-3-indol-3-yl-acrylamide (CAS 64036-47-1), with molecular formula C19H17NOS and molecular weight 307.10 g/mol. IUPAC: 6-sulfanylidenespiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one.
Chemical Property Profile of 2-acetylamino-3-indol-3-yl-acrylamide
Property Insights of 2-acetylamino-3-indol-3-yl-acrylamide
The XLogP value of 3.3087 indicates that 2-acetylamino-3-indol-3-yl-acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-acetylamino-3-indol-3-yl-acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetylamino-3-indol-3-yl-acrylamide 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 2-acetylamino-3-indol-3-yl-acrylamide?
The CAS number of 2-acetylamino-3-indol-3-yl-acrylamide is 64036-47-1.
What is the molecular formula of 2-acetylamino-3-indol-3-yl-acrylamide?
The molecular formula of 2-acetylamino-3-indol-3-yl-acrylamide is C19H17NOS.
What is the molecular weight of 2-acetylamino-3-indol-3-yl-acrylamide?
The molecular weight of 2-acetylamino-3-indol-3-yl-acrylamide is 307.10 g/mol.
Where can I buy 2-acetylamino-3-indol-3-yl-acrylamide?
You can request a quote for 2-acetylamino-3-indol-3-yl-acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetylamino-3-indol-3-yl-acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-acetylamino-3-indol-3-yl-acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.