![6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one structure](/static/products/1798/17987-77-8.webp)
6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one
TL;DR: 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one (CAS 17987-77-8) is a chemical compound with molecular formula C9H5Cl2NO2 and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-2-methyl-3,1-benzoxazin-4-one
Also Known As: 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one, 6,8-dichloro-2-methyl-4H-3,1-benzoxazin-4-one, BAS 01520237, 6,8-dichloro-2-methyl-3,1-benzoxazin-4-one, J3.041.633C
| Molecular Formula | C9H5Cl2NO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.96973 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 17987-77-8 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2Cl)Cl)C(=O)O1 |
| InChIKey | GKYRRPSGTKLVLS-UHFFFAOYSA-N |
Product Overview
6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one (CAS 17987-77-8), with molecular formula C9H5Cl2NO2 and molecular weight 228.97 g/mol. IUPAC: 6,8-dichloro-2-methyl-3,1-benzoxazin-4-one.
Chemical Property Profile of 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one
Property Insights of 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one. With a topological polar surface area (TPSA) of 38.7 Ų, 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one has 0 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 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one?
The CAS number of 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one is 17987-77-8.
What is the molecular formula of 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one?
The molecular formula of 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one is C9H5Cl2NO2.
What is the molecular weight of 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one?
The molecular weight of 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one is 228.97 g/mol.
Where can I buy 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one?
You can request a quote for 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-dichloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.