![1-isobutyrylbenzo[cd]indol-2(1H)-one structure](/static/products/405/405114-73-0.png)
1-isobutyrylbenzo[cd]indol-2(1H)-one
TL;DR: 1-isobutyrylbenzo[cd]indol-2(1H)-one (CAS 405114-73-0) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropanoyl)benzo[cd]indol-2-one
Also Known As: 1-isobutyrylbenzo[cd]indol-2(1H)-one, 1-Isobutyryl-1H-benzo[cd]indol-2-one, 1-(2-methylpropanoyl)benzo[cd]indol-2-one, J1.686.685G, 1-Isobutyryl-1,2-dihydrobenzo[cd]indole-2-one
| Molecular Formula | C15H13NO2 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 2.9826 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.09464 |
| Heavy Atoms | 18 |
| Complexity | 667.998 |
Chemical Identifiers
| CAS Number | 405114-73-0 |
|---|---|
| SMILES | CC(C)C(=O)N1C2=CC=CC3=C2C(=CC=C3)C1=O |
Product Overview
1-isobutyrylbenzo[cd]indol-2(1H)-one (CAS 405114-73-0), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: 1-(2-methylpropanoyl)benzo[cd]indol-2-one.
Chemical Property Profile of 1-isobutyrylbenzo[cd]indol-2(1H)-one
Property Insights of 1-isobutyrylbenzo[cd]indol-2(1H)-one
The XLogP value of 2.9826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-isobutyrylbenzo[cd]indol-2(1H)-one. With a topological polar surface area (TPSA) of 37.38 Ų, 1-isobutyrylbenzo[cd]indol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-isobutyrylbenzo[cd]indol-2(1H)-one 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-isobutyrylbenzo[cd]indol-2(1H)-one?
The CAS number of 1-isobutyrylbenzo[cd]indol-2(1H)-one is 405114-73-0.
What is the molecular formula of 1-isobutyrylbenzo[cd]indol-2(1H)-one?
The molecular formula of 1-isobutyrylbenzo[cd]indol-2(1H)-one is C15H13NO2.
What is the molecular weight of 1-isobutyrylbenzo[cd]indol-2(1H)-one?
The molecular weight of 1-isobutyrylbenzo[cd]indol-2(1H)-one is 239.09 g/mol.
Where can I buy 1-isobutyrylbenzo[cd]indol-2(1H)-one?
You can request a quote for 1-isobutyrylbenzo[cd]indol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-isobutyrylbenzo[cd]indol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-isobutyrylbenzo[cd]indol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.