3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
TL;DR: 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 90563-93-2) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Also Known As: 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 2-Chloropropene, 3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid, benzomorpholine-2-carboxylic acid, 2H-1,4-Benzoxazine-2-carboxylicacid, 3,4-dihydro-
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.9441 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 337.38663 |
Chemical Identifiers
| CAS Number | 90563-93-2 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2N1)C(=O)O |
Product Overview
3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 90563-93-2), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid.
Chemical Property Profile of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Property Insights of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
The XLogP value of 0.9441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. With a topological polar surface area (TPSA) of 58.56 Ų, 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid has 2 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 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The CAS number of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 90563-93-2.
What is the molecular formula of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular formula of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is C9H9NO3.
What is the molecular weight of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular weight of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 179.06 g/mol.
Where can I buy 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
You can request a quote for 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.