![2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid structure](/static/products/4390/439096-40-9.webp)
2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid
TL;DR: 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid (CAS 439096-40-9) is a chemical compound with molecular formula C17H14ClNO4 and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
Also Known As: 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid, 2-[4-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid, 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]aceticacid, 2-[10-(2-chlorobenzoyl)-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-trien-9-yl]acetic Acid
| Molecular Formula | C17H14ClNO4 |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 3.2225 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.06113 |
| Heavy Atoms | 23 |
| Complexity | 761.7635 |
Chemical Identifiers
| CAS Number | 439096-40-9 |
|---|---|
| SMILES | C1C(N(C2=CC=CC=C2O1)C(=O)C3=CC=CC=C3Cl)CC(=O)O |
Product Overview
2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid (CAS 439096-40-9), with molecular formula C17H14ClNO4 and molecular weight 331.06 g/mol. IUPAC: 2-[4-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid.
Chemical Property Profile of 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid
Property Insights of 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid
The XLogP value of 3.2225 indicates that 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid. Following Lipinski's Rule of Five, 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid 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 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
The CAS number of 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is 439096-40-9.
What is the molecular formula of 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
The molecular formula of 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is C17H14ClNO4.
What is the molecular weight of 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
The molecular weight of 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is 331.06 g/mol.
Where can I buy 2-[4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
You can request a quote for 2-[4-(2-chlorobenzoyl)-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-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-chlorobenzoyl)-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.