![Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- structure](/static/products/846/846593-47-3.png)
Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]-
TL;DR: Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- (CAS 846593-47-3) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-tert-butyl-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid
Also Known As: 4-(6-tert-butyl-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid, 4-(6-(tert-butyl)-2H-benzo[e][1,3]oxazin-3(4H)-yl)benzoic acid, 4-(6-tert-butyl-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid, 4-(6-TERT-BUTYL-3,4-DIHYDRO-2H-1,3-BENZOXAZIN-3-YL)BENZOIC ACID, Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]-
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 4.0388 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 729.2702 |
Chemical Identifiers
| CAS Number | 846593-47-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OCN(C2)C3=CC=C(C=C3)C(=O)O |
Product Overview
Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- (CAS 846593-47-3), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: 4-(6-tert-butyl-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]-
Property Insights of Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]-
The XLogP value of 4.0388 indicates that Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- 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 Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]-?
The CAS number of Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- is 846593-47-3.
What is the molecular formula of Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]-?
The molecular formula of Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- is C19H21NO3.
What is the molecular weight of Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]-?
The molecular weight of Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- is 311.15 g/mol.
Where can I buy Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]-?
You can request a quote for Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[6-(1,1-dimethylethyl)-2H-1,3-benzoxazin-3(4H)-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.