N-(isochromanylmethyl)prop-2-enamide
TL;DR: N-(isochromanylmethyl)prop-2-enamide (CAS 333432-25-0) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-enamide
Also Known As: N-(isochromanylmethyl)prop-2-enamide, N-Isochroman-1-ylmethyl-acrylamide, BAS 01076078, N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]prop-2-enamide, N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-enamide
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 1.6026 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 400.674 |
Chemical Identifiers
| CAS Number | 333432-25-0 |
|---|---|
| SMILES | C=CC(=O)NCC1C2=CC=CC=C2CCO1 |
Product Overview
N-(isochromanylmethyl)prop-2-enamide (CAS 333432-25-0), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-enamide.
Chemical Property Profile of N-(isochromanylmethyl)prop-2-enamide
Property Insights of N-(isochromanylmethyl)prop-2-enamide
The XLogP value of 1.6026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(isochromanylmethyl)prop-2-enamide. With a topological polar surface area (TPSA) of 38.33 Ų, N-(isochromanylmethyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(isochromanylmethyl)prop-2-enamide 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 N-(isochromanylmethyl)prop-2-enamide?
The CAS number of N-(isochromanylmethyl)prop-2-enamide is 333432-25-0.
What is the molecular formula of N-(isochromanylmethyl)prop-2-enamide?
The molecular formula of N-(isochromanylmethyl)prop-2-enamide is C13H15NO2.
What is the molecular weight of N-(isochromanylmethyl)prop-2-enamide?
The molecular weight of N-(isochromanylmethyl)prop-2-enamide is 217.11 g/mol.
Where can I buy N-(isochromanylmethyl)prop-2-enamide?
You can request a quote for N-(isochromanylmethyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(isochromanylmethyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(isochromanylmethyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.