3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one
TL;DR: 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one (CAS 680214-08-8) is a chemical compound with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(5-nitro-2,3-dihydroindol-1-yl)propan-1-one
Also Known As: 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one, 3-chloro-1-(5-nitro-2,3-dihydroindol-1-yl)propan-1-one, 1-Propanone, 3-chloro-1-(2,3-dihydro-5-nitro-1H-indol-1-yl)-, 3-Chloro-1-(2,3-dihydro-5-nitro-1H-indol-1-yl)-1-propanone
| Molecular Formula | C11H11ClN2O3 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.1128 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.04582 |
| Heavy Atoms | 17 |
| Complexity | 475.7844 |
Chemical Identifiers
| CAS Number | 680214-08-8 |
|---|---|
| SMILES | C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CCCl |
Product Overview
3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one (CAS 680214-08-8), with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol. IUPAC: 3-chloro-1-(5-nitro-2,3-dihydroindol-1-yl)propan-1-one.
Chemical Property Profile of 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one
Property Insights of 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one
The XLogP value of 2.1128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one. Following Lipinski's Rule of Five, 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one has 0 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 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one?
The CAS number of 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one is 680214-08-8.
What is the molecular formula of 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one?
The molecular formula of 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one is C11H11ClN2O3.
What is the molecular weight of 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one?
The molecular weight of 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one is 254.05 g/mol.
Where can I buy 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one?
You can request a quote for 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.