4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate
TL;DR: 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate (CAS 92646-98-5) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate
Also Known As: 4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate, 7-hydroxy-4-methyl-8-(pyrrolidin-1-ylmethyl)-2H-chromen-2-one, 4-methyl-2-oxo-8-(pyrrolidinium-1-ylmethyl)-2H-chromen-7-olate, 4-methyl-2-oxo-8-(2,3,4,5-tetrahydropyrrol-1-ylmethyl)chromen-7-olate
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 0.35372 |
| Topological Polar Surface Area | 57.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 668.8804 |
Chemical Identifiers
| CAS Number | 92646-98-5 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)[O-] |
Product Overview
4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate (CAS 92646-98-5), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: 4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate.
Chemical Property Profile of 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate
Property Insights of 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate
The XLogP value of 0.35372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate. With a topological polar surface area (TPSA) of 57.71 Ų, 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate has 1 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 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate?
The CAS number of 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate is 92646-98-5.
What is the molecular formula of 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate?
The molecular formula of 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate is C15H17NO3.
What is the molecular weight of 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate?
The molecular weight of 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate is 259.12 g/mol.
Where can I buy 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate?
You can request a quote for 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.