3-Amino-2H-1,4-benzoxazin-2-one
TL;DR: 3-Amino-2H-1,4-benzoxazin-2-one (CAS 35015-91-9) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,4-benzoxazin-2-one
Also Known As: 3-amino-2H-1,4-benzoxazin-2-one, 3-amino-1,4-benzoxazin-2-one, ASN 13338990, 2H-1,4-Benzoxazin-2-one,3-amino-, 6M-346S
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.7702 |
| Topological Polar Surface Area | 69.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 475.6867 |
Chemical Identifiers
| CAS Number | 35015-91-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=O)O2)N |
Product Overview
3-Amino-2H-1,4-benzoxazin-2-one (CAS 35015-91-9), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 3-amino-1,4-benzoxazin-2-one.
Chemical Property Profile of 3-Amino-2H-1,4-benzoxazin-2-one
Property Insights of 3-Amino-2H-1,4-benzoxazin-2-one
The XLogP value of 0.7702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2H-1,4-benzoxazin-2-one. The TPSA of 69.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2H-1,4-benzoxazin-2-one. Following Lipinski's Rule of Five, 3-Amino-2H-1,4-benzoxazin-2-one 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 3-Amino-2H-1,4-benzoxazin-2-one?
The CAS number of 3-Amino-2H-1,4-benzoxazin-2-one is 35015-91-9.
What is the molecular formula of 3-Amino-2H-1,4-benzoxazin-2-one?
The molecular formula of 3-Amino-2H-1,4-benzoxazin-2-one is C8H6N2O2.
What is the molecular weight of 3-Amino-2H-1,4-benzoxazin-2-one?
The molecular weight of 3-Amino-2H-1,4-benzoxazin-2-one is 162.04 g/mol.
Where can I buy 3-Amino-2H-1,4-benzoxazin-2-one?
You can request a quote for 3-Amino-2H-1,4-benzoxazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2H-1,4-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2H-1,4-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.