5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one
TL;DR: 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one (CAS 91098-13-4) is a chemical compound with molecular formula C13H13ClN2O and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one
Also Known As: 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one, (3Z)-5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-on
| Molecular Formula | C13H13ClN2O |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.07164 |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 91098-13-4 |
|---|---|
| SMILES | CN1CCCC1=C2C3=C(C=CC(=C3)Cl)NC2=O |
| InChIKey | AIDLNEGAXVBHTO-UHFFFAOYSA-N |
Product Overview
5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one (CAS 91098-13-4), with molecular formula C13H13ClN2O and molecular weight 248.07 g/mol. IUPAC: 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one.
Chemical Property Profile of 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one
Property Insights of 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one. With a topological polar surface area (TPSA) of 32.3 Ų, 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one 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 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one?
The CAS number of 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one is 91098-13-4.
What is the molecular formula of 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one?
The molecular formula of 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one is C13H13ClN2O.
What is the molecular weight of 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one?
The molecular weight of 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one is 248.07 g/mol.
Where can I buy 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one?
You can request a quote for 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-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 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.