![2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid structure](/static/products/6918/691887-90-8.webp)
2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid
TL;DR: 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid (CAS 691887-90-8) is a chemical compound with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid
Also Known As: 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid, 2-[(2-TERT-BUTYLHYDRAZIN-1-YLIDENE)(3-OXO-2,4-DIHYDRO-1,4-BENZOXAZIN-6-YL)METHYL]BENZOIC ACID, 2-[[(E)-2-(tert-butyl)hydrazono](3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]benzenecarboxylic acid
| Molecular Formula | C20H21N3O4 |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 2.8562 |
| Topological Polar Surface Area | 100.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1532 |
| Heavy Atoms | 27 |
| Complexity | 929.06433 |
Chemical Identifiers
| CAS Number | 691887-90-8 |
|---|---|
| SMILES | CC(C)(C)NN=C(C1=CC2=C(C=C1)OCC(=O)N2)C3=CC=CC=C3C(=O)O |
Product Overview
2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid (CAS 691887-90-8), with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol. IUPAC: 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid.
Chemical Property Profile of 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid
Property Insights of 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid
The XLogP value of 2.8562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid. The TPSA of 100.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid has 3 hydrogen bond donor(s) and 5 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-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid?
The CAS number of 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid is 691887-90-8.
What is the molecular formula of 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid?
The molecular formula of 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid is C20H21N3O4.
What is the molecular weight of 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid?
The molecular weight of 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid is 367.15 g/mol.
Where can I buy 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid?
You can request a quote for 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.