4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid
TL;DR: 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid (CAS 843624-40-8) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-ethoxy-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid
Also Known As: 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid, 4-(6-ethoxy-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid, 4-(6-ethoxy-2H-benzo[e][1,3]oxazin-3(4H)-yl)benzoic acid, 4-(3-ethoxy-7-oxa-9-azabicyclo[4.4.0]deca-2,4,11-trien-9-yl)benzoic Acid
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.14 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 681.55835 |
Chemical Identifiers
| CAS Number | 843624-40-8 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)OCN(C2)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid (CAS 843624-40-8), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: 4-(6-ethoxy-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid.
Chemical Property Profile of 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid
Property Insights of 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid
The XLogP value of 3.14 indicates that 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic 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 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid?
The CAS number of 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid is 843624-40-8.
What is the molecular formula of 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid?
The molecular formula of 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid is C17H17NO4.
What is the molecular weight of 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid?
The molecular weight of 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid is 299.12 g/mol.
Where can I buy 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid?
You can request a quote for 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-ethoxy-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.