7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS 887581-07-9) is a chemical compound with molecular formula C9H9ClN2O2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-6-chloro-4-methyl-1,4-benzoxazin-3-one
Also Known As: 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one, 7-amino-6-chloro-4-methyl-1,4-benzoxazin-3-one, 7-Amino-6-chloro-4-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one, AN-829/25042018, 7-amino-6-chloro-4-methyl-2H-benzo[e]1,4-oxazin-3-one
| Molecular Formula | C9H9ClN2O2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.2774 |
| Topological Polar Surface Area | 55.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.03525 |
| Heavy Atoms | 14 |
| Complexity | 406.04358 |
Chemical Identifiers
| CAS Number | 887581-07-9 |
|---|---|
| SMILES | CN1C(=O)COC2=C1C=C(C(=C2)N)Cl |
Product Overview
7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS 887581-07-9), with molecular formula C9H9ClN2O2 and molecular weight 212.04 g/mol. IUPAC: 7-amino-6-chloro-4-methyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.2774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 55.56 Ų, 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-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
Frequently Asked Questions
What is the CAS number of 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one is 887581-07-9.
What is the molecular formula of 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one is C9H9ClN2O2.
What is the molecular weight of 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one is 212.04 g/mol.
Where can I buy 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-amino-6-chloro-4-methyl-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.