4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl-
TL;DR: 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl- (CAS 21440-96-0) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1H-3,1-benzoxazin-2-one
Also Known As: 4,4-dimethyl-1H-3,1-benzoxazin-2-one, 4H-3,1-BENZOXAZIN-2-ONE, 1,2-DIHYDRO-4,4-DIMETHYL-, 4,4-Dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one, 1,2-Dihydro-4,4-dimethyl-4H-3,1-benzoxazin-2-one, 4,4-Dimethyl-1H-3,1-benzooxazine-2(4H)-one
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 21440-96-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2NC(=O)O1)C |
| InChIKey | DXRDETPOBPURRD-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-4,4-dimethyl- (CAS 21440-96-0), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 4,4-dimethyl-1H-3,1-benzoxazin-2-one.
Chemical Property Profile of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl-
Property Insights of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl-. With a topological polar surface area (TPSA) of 38.3 Ų, 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl- 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-4,4-dimethyl- has 1 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-4,4-dimethyl-?
The CAS number of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl- is 21440-96-0.
What is the molecular formula of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl-?
The molecular formula of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl- is C10H11NO2.
What is the molecular weight of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl-?
The molecular weight of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl- is 177.08 g/mol.
Where can I buy 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl-?
You can request a quote for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl- 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-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.