N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
TL;DR: N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide (CAS 889953-33-7) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
Also Known As: N-Benzylisochromane-1-carboxamide, isochromanyl-N-benzylcarboxamide, N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide, J3.735.158J, A3912/0166407
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 2.6168 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 594.9488 |
Chemical Identifiers
| CAS Number | 889953-33-7 |
|---|---|
| SMILES | C1COC(C2=CC=CC=C21)C(=O)NCC3=CC=CC=C3 |
Product Overview
N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide (CAS 889953-33-7), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide.
Chemical Property Profile of N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
Property Insights of N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
The XLogP value of 2.6168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide. With a topological polar surface area (TPSA) of 38.33 Ų, N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide 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-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The CAS number of N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide is 889953-33-7.
What is the molecular formula of N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The molecular formula of N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide is C17H17NO2.
What is the molecular weight of N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The molecular weight of N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide is 267.13 g/mol.
Where can I buy N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide?
You can request a quote for N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.