![2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid structure](/static/products/4391/439107-27-4.webp)
2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid
TL;DR: 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid (CAS 439107-27-4) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
Also Known As: 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid, 3T-0238, 2-[4-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid, 2-[10-(4-methoxybenzoyl)-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-trien-9-yl]acetic Acid
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.5777 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 756.25934 |
Chemical Identifiers
| CAS Number | 439107-27-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N2C(COC3=CC=CC=C32)CC(=O)O |
Product Overview
2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid (CAS 439107-27-4), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: 2-[4-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid.
Chemical Property Profile of 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid
Property Insights of 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid
The XLogP value of 2.5777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid. Following Lipinski's Rule of Five, 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid has 1 hydrogen bond donor(s) and 4 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 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
The CAS number of 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is 439107-27-4.
What is the molecular formula of 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
The molecular formula of 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is C18H17NO5.
What is the molecular weight of 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
The molecular weight of 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is 327.11 g/mol.
Where can I buy 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
You can request a quote for 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-methoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.