4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-
TL;DR: 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl- (CAS 21441-03-2) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,4-trimethyl-3,1-benzoxazin-2-one
Also Known As: 1,4,4-trimethyl-3,1-benzoxazin-2-one, 4H-3,1-BENZOXAZIN-2-ONE, 1,2-DIHYDRO-1,4,4-TRIMETHYL-, 1,2-Dihydro-1,4,4-trimethyl-4H-3,1-benzoxazin-2-one, 1,4,4-trimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one, 1,4,4-Trimethyl-1H-3,1-benzooxazine-2(4H)-one
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 21441-03-2 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C(=O)O1)C)C |
| InChIKey | UKMXBWOKYGDZQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl- (CAS 21441-03-2), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 1,4,4-trimethyl-3,1-benzoxazin-2-one.
Chemical Property Profile of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-
Property Insights of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl- has 0 hydrogen bond donor(s) and 2 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 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-?
The CAS number of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl- is 21441-03-2.
What is the molecular formula of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-?
The molecular formula of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl- is C11H13NO2.
What is the molecular weight of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-?
The molecular weight of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl- is 191.09 g/mol.
Where can I buy 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-?
You can request a quote for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.