4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS 866157-85-9) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxyphenyl)methyl]-2-methyl-1,4-benzoxazin-3-one
Also Known As: 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one, 4-[(3-methoxyphenyl)methyl]-2-methyl-1,4-benzoxazin-3-one, 4-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, 4-[(3-Methoxyphenyl)methyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.0093 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 668.5897 |
Chemical Identifiers
| CAS Number | 866157-85-9 |
|---|---|
| SMILES | CC1C(=O)N(C2=CC=CC=C2O1)CC3=CC(=CC=C3)OC |
Product Overview
4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS 866157-85-9), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: 4-[(3-methoxyphenyl)methyl]-2-methyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 3.0093 indicates that 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one has 0 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 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one is 866157-85-9.
What is the molecular formula of 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one is C17H17NO3.
What is the molecular weight of 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one is 283.12 g/mol.
Where can I buy 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-methoxybenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.