1-(Acetoacetyl)indoline
TL;DR: 1-(Acetoacetyl)indoline (CAS 600-17-9) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)butane-1,3-dione
Also Known As: 1-(Acetoacetyl)Indoline, 1-indolinylbutane-1,3-dione, 1-(2,3-dihydroindol-1-yl)butane-1,3-dione, 1-(Indolin-1-yl)butane-1,3-dione, KST-1B6077
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 600-17-9 |
|---|---|
| SMILES | CC(=O)CC(=O)N1CCC2=CC=CC=C21 |
| InChIKey | BFSUTXYYDMNDOX-UHFFFAOYSA-N |
Product Overview
1-(Acetoacetyl)indoline (CAS 600-17-9), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)butane-1,3-dione.
Chemical Property Profile of 1-(Acetoacetyl)indoline
Property Insights of 1-(Acetoacetyl)indoline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Acetoacetyl)indoline. With a topological polar surface area (TPSA) of 37.4 Ų, 1-(Acetoacetyl)indoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Acetoacetyl)indoline has 0 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 1-(Acetoacetyl)indoline?
The CAS number of 1-(Acetoacetyl)indoline is 600-17-9.
What is the molecular formula of 1-(Acetoacetyl)indoline?
The molecular formula of 1-(Acetoacetyl)indoline is C12H13NO2.
What is the molecular weight of 1-(Acetoacetyl)indoline?
The molecular weight of 1-(Acetoacetyl)indoline is 203.09 g/mol.
Where can I buy 1-(Acetoacetyl)indoline?
You can request a quote for 1-(Acetoacetyl)indoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Acetoacetyl)indoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(Acetoacetyl)indoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.