N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide
TL;DR: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide (CAS 334505-19-0) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 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)-4-methoxybenzamide
Also Known As: ChemDiv3_002596, N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide, N-Isochroman-1-ylmethyl-4-methoxy-benzamide, BAS 05513166, N-(isochroman-1-ylmethyl)-4-methoxybenzamide
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 2.739 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 651.6368 |
Chemical Identifiers
| CAS Number | 334505-19-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCC2C3=CC=CC=C3CCO2 |
Product Overview
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide (CAS 334505-19-0), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide.
Chemical Property Profile of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide
Property Insights of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide
The XLogP value of 2.739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide 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-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide?
The CAS number of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide is 334505-19-0.
What is the molecular formula of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide?
The molecular formula of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide is C18H19NO3.
What is the molecular weight of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide?
The molecular weight of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide is 297.14 g/mol.
Where can I buy N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide?
You can request a quote for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.