4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-
TL;DR: 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl- (CAS 22796-63-0) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3,1-benzoxazin-2-amine
Also Known As: 4,4-dimethyl-3,1-benzoxazin-2-amine, 4,4-Dimethyl-4H-3,1-benzoxazin-2-amine, 4H-3,1-BENZOXAZIN-2-IMINE, 1,2-DIHYDRO-4,4-DIMETHYL-, 1,2-Dihydro-4,4-dimethyl-4H-3,1-benzoxazin-2-imine, 4H-3,1-Benzoxazin-2-amine, 4,4-dimethyl-
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 22796-63-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N=C(O1)N)C |
| InChIKey | RXAVXDBLOBNIFT-UHFFFAOYSA-N |
Product Overview
4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl- (CAS 22796-63-0), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 4,4-dimethyl-3,1-benzoxazin-2-amine.
Chemical Property Profile of 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-
Property Insights of 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-. With a topological polar surface area (TPSA) of 47.6 Ų, 4H-3,1-Benzoxazin-2-imine, 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-imine, 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-imine, 1,2-dihydro-4,4-dimethyl-?
The CAS number of 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl- is 22796-63-0.
What is the molecular formula of 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-?
The molecular formula of 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl- is C10H12N2O.
What is the molecular weight of 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-?
The molecular weight of 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl- is 176.09 g/mol.
Where can I buy 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-?
You can request a quote for 4H-3,1-Benzoxazin-2-imine, 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-imine, 1,2-dihydro-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.