N-isopropyl-2-oxo-2H-chromene-3-carboxamide
TL;DR: N-isopropyl-2-oxo-2H-chromene-3-carboxamide (CAS 1846-82-8) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-N-propan-2-ylchromene-3-carboxamide
Also Known As: 3-carboxamido coumarin, 2, N-isopropyl-2-oxo-2H-chromene-3-carboxamide, BAS 00558073, 2-oxo-N-(propan-2-yl)-2H-chromene-3-carboxamide, 2-oxo-N-propan-2-ylchromene-3-carboxamide
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 1846-82-8 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC2=CC=CC=C2OC1=O |
| InChIKey | DYFRHCOMCPYXPQ-UHFFFAOYSA-N |
Product Overview
N-isopropyl-2-oxo-2H-chromene-3-carboxamide (CAS 1846-82-8), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-oxo-N-propan-2-ylchromene-3-carboxamide.
Chemical Property Profile of N-isopropyl-2-oxo-2H-chromene-3-carboxamide
Property Insights of N-isopropyl-2-oxo-2H-chromene-3-carboxamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropyl-2-oxo-2H-chromene-3-carboxamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-isopropyl-2-oxo-2H-chromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isopropyl-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-isopropyl-2-oxo-2H-chromene-3-carboxamide?
The CAS number of N-isopropyl-2-oxo-2H-chromene-3-carboxamide is 1846-82-8.
What is the molecular formula of N-isopropyl-2-oxo-2H-chromene-3-carboxamide?
The molecular formula of N-isopropyl-2-oxo-2H-chromene-3-carboxamide is C13H13NO3.
What is the molecular weight of N-isopropyl-2-oxo-2H-chromene-3-carboxamide?
The molecular weight of N-isopropyl-2-oxo-2H-chromene-3-carboxamide is 231.09 g/mol.
Where can I buy N-isopropyl-2-oxo-2H-chromene-3-carboxamide?
You can request a quote for N-isopropyl-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-isopropyl-2-oxo-2H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopropyl-2-oxo-2H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.