N-octyl-1-oxoisochromene-3-carboxamide
TL;DR: N-octyl-1-oxoisochromene-3-carboxamide (CAS 444936-61-2) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-octyl-1-oxoisochromene-3-carboxamide
Also Known As: N-octyl-1-oxoisochromene-3-carboxamide, N-octyl-1-oxo-1H-isochromene-3-carboxamide
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 3.8833 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 675.3318 |
Chemical Identifiers
| CAS Number | 444936-61-2 |
|---|---|
| SMILES | CCCCCCCCNC(=O)C1=CC2=CC=CC=C2C(=O)O1 |
Product Overview
N-octyl-1-oxoisochromene-3-carboxamide (CAS 444936-61-2), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: N-octyl-1-oxoisochromene-3-carboxamide.
Chemical Property Profile of N-octyl-1-oxoisochromene-3-carboxamide
Property Insights of N-octyl-1-oxoisochromene-3-carboxamide
The XLogP value of 3.8833 indicates that N-octyl-1-oxoisochromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, N-octyl-1-oxoisochromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-octyl-1-oxoisochromene-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-octyl-1-oxoisochromene-3-carboxamide?
The CAS number of N-octyl-1-oxoisochromene-3-carboxamide is 444936-61-2.
What is the molecular formula of N-octyl-1-oxoisochromene-3-carboxamide?
The molecular formula of N-octyl-1-oxoisochromene-3-carboxamide is C18H23NO3.
What is the molecular weight of N-octyl-1-oxoisochromene-3-carboxamide?
The molecular weight of N-octyl-1-oxoisochromene-3-carboxamide is 301.17 g/mol.
Where can I buy N-octyl-1-oxoisochromene-3-carboxamide?
You can request a quote for N-octyl-1-oxoisochromene-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-octyl-1-oxoisochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-octyl-1-oxoisochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.