Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-
TL;DR: Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)- (CAS 18186-67-9) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one
Also Known As: 3-((1-Pyrrolidinylcarbonyl)methyl)coumarin, COUMARIN, 3-((1-PYRROLIDINYLCARBONYL)METHYL)-, 3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one, 3-(2-Oxo-2-(pyrrolidin-1-yl)ethyl)-2H-chromen-2-one, 3-[(1-Pyrrolidinylcarbonyl)methyl]coumarin
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 18186-67-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CC2=CC3=CC=CC=C3OC2=O |
| InChIKey | ATMOOXXFMHQVMN-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)- (CAS 18186-67-9), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: 3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one.
Chemical Property Profile of Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-
Property Insights of Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-. With a topological polar surface area (TPSA) of 46.6 Ų, Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)- 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 Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-?
The CAS number of Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)- is 18186-67-9.
What is the molecular formula of Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-?
The molecular formula of Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)- is C15H15NO3.
What is the molecular weight of Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-?
The molecular weight of Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)- is 257.11 g/mol.
Where can I buy Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-?
You can request a quote for Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.