2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-
TL;DR: 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl- (CAS 86522-40-9) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-3-methyl-1,4-benzoxazin-2-one
Also Known As: 7-amino-3-methyl-1,4-benzoxazin-2-one, 7-amino-3-methyl-2H-1,4-benzoxazin-2-one, 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-, 2H-1,4-Benzoxazin-2-one,7-amino-3-methyl, 3-Methyl-7-amino-2H-1,4-benzoxazine-2-one
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 86522-40-9 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)N)OC1=O |
| InChIKey | PJVHXBVMVMQIDU-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl- (CAS 86522-40-9), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 7-amino-3-methyl-1,4-benzoxazin-2-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-
Property Insights of 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl- has 1 hydrogen bond donor(s) and 4 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 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-?
The CAS number of 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl- is 86522-40-9.
What is the molecular formula of 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-?
The molecular formula of 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl- is C9H8N2O2.
What is the molecular weight of 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-?
The molecular weight of 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl- is 176.06 g/mol.
Where can I buy 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-?
You can request a quote for 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.