N-isobutyl-2-oxo-2H-chromene-3-carboxamide
TL;DR: N-isobutyl-2-oxo-2H-chromene-3-carboxamide (CAS 1846-84-0) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)-2-oxochromene-3-carboxamide
Also Known As: 3-carboxamido coumarin, 3, N-isobutyl-2-oxo-2H-chromene-3-carboxamide, Coumarin-3-carbonsaeure-isobutylamid, N-(2-methylpropyl)-2-oxochromene-3-carboxamide, N-(2-methylpropyl)-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.1788 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 628.21686 |
Chemical Identifiers
| CAS Number | 1846-84-0 |
|---|---|
| SMILES | CC(C)CNC(=O)C1=CC2=CC=CC=C2OC1=O |
Product Overview
N-isobutyl-2-oxo-2H-chromene-3-carboxamide (CAS 1846-84-0), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: N-(2-methylpropyl)-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-isobutyl-2-oxo-2H-chromene-3-carboxamide
Property Insights of N-isobutyl-2-oxo-2H-chromene-3-carboxamide
The XLogP value of 2.1788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isobutyl-2-oxo-2H-chromene-3-carboxamide. With a topological polar surface area (TPSA) of 59.31 Ų, N-isobutyl-2-oxo-2H-chromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isobutyl-2-oxo-2H-chromene-3-carboxamide 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 N-isobutyl-2-oxo-2H-chromene-3-carboxamide?
The CAS number of N-isobutyl-2-oxo-2H-chromene-3-carboxamide is 1846-84-0.
What is the molecular formula of N-isobutyl-2-oxo-2H-chromene-3-carboxamide?
The molecular formula of N-isobutyl-2-oxo-2H-chromene-3-carboxamide is C14H15NO3.
What is the molecular weight of N-isobutyl-2-oxo-2H-chromene-3-carboxamide?
The molecular weight of N-isobutyl-2-oxo-2H-chromene-3-carboxamide is 245.11 g/mol.
Where can I buy N-isobutyl-2-oxo-2H-chromene-3-carboxamide?
You can request a quote for N-isobutyl-2-oxo-2H-chromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isobutyl-2-oxo-2H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-isobutyl-2-oxo-2H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.