4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate
TL;DR: 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate (CAS 333751-60-3) is a chemical compound with molecular formula C16H15NO4 and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-methoxy-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid
Also Known As: 4-(6-methoxy-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid, 4-(6-methoxy-2H-benzo[e][1,3]oxazin-3(4H)-yl)benzoic acid, 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate, 4-(3-methoxy-7-oxa-9-azabicyclo[4.4.0]deca-2,4,11-trien-9-yl)benzoic Acid
| Molecular Formula | C16H15NO4 |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.7499 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.1001 |
| Heavy Atoms | 21 |
| Complexity | 666.47723 |
Chemical Identifiers
| CAS Number | 333751-60-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OCN(C2)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate (CAS 333751-60-3), with molecular formula C16H15NO4 and molecular weight 285.10 g/mol. IUPAC: 4-(6-methoxy-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid.
Chemical Property Profile of 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate
Property Insights of 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate
The XLogP value of 2.7499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate. With a topological polar surface area (TPSA) of 59.0 Ų, 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate 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-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate?
The CAS number of 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate is 333751-60-3.
What is the molecular formula of 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate?
The molecular formula of 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate is C16H15NO4.
What is the molecular weight of 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate?
The molecular weight of 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate is 285.10 g/mol.
Where can I buy 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate?
You can request a quote for 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.