2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one
TL;DR: 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one (CAS 100076-68-4) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-(propan-2-ylamino)-3,1-benzoxazin-4-one
Also Known As: 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one, 5-methyl-2-(propan-2-ylamino)-3,1-benzoxazin-4-one, 4H-3,1-Benzoxazin-4-one, 5-methyl-2-[(1-methylethyl)amino]-, 2-(isopropylamino)-5-methyl-3,1-benzoxazin-4-one, 2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-one
Technical Specifications
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.10553 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 Da |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
| SMILES | CC1=C2C(=CC=C1)N=C(OC2=O)NC(C)C |
| InChIKey | KYGGCZMWHBADHK-UHFFFAOYSA-N |
Chemical Property Profile of 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one
Property Insights of 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 50.7 Ų, 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one 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
What is the CAS number of 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one?
The CAS number of 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one is 100076-68-4.
What is the molecular formula of 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one is C12H14N2O2.
What is the molecular weight of 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one is 218.10553 g/mol.
Where can I buy 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-isopropylamino-5-methyl-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.