3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one
TL;DR: 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one (CAS 17799-22-3) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol
Also Known As: 3-(azepan-2-ylidene)-1H-indol-2-one, (Z)-3-(azepan-2-ylidene)indolin-2-one, 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one, (3Z)-3-(azepan-2-ylidene)-1H-indol-2-one, AE-848/12915026
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 17799-22-3 |
|---|---|
| SMILES | C1CCC(=NCC1)C2=C(NC3=CC=CC=C32)O |
| InChIKey | SCIAMDMLNUMNAD-UHFFFAOYSA-N |
Product Overview
3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one (CAS 17799-22-3), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol.
Chemical Property Profile of 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one
Property Insights of 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one. With a topological polar surface area (TPSA) of 48.4 Ų, 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one has 2 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 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one?
The CAS number of 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one is 17799-22-3.
What is the molecular formula of 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one?
The molecular formula of 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one is C14H16N2O.
What is the molecular weight of 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one?
The molecular weight of 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one is 228.13 g/mol.
Where can I buy 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one?
You can request a quote for 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.