3,6-Dimethyl-1,4-benzoxazin-2-one
TL;DR: 3,6-Dimethyl-1,4-benzoxazin-2-one (CAS 62103-85-9) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-1,4-benzoxazin-2-one
Also Known As: 3,6-dimethyl-1,4-benzoxazin-2-one, 3,6-Dimethylbenz[1,4]oxazin-2-one, 3,6-Dimethyl-2H-1,4-benzoxazin-2-one, 2H-1,4-Benzoxazin-2-one, 3,6-dimethyl-, 3,6-Dimethyl-2H-1,4-benzoxazin-2-one #
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 62103-85-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)C(=N2)C |
| InChIKey | XTQXKSVXYXZZQW-UHFFFAOYSA-N |
Product Overview
3,6-Dimethyl-1,4-benzoxazin-2-one (CAS 62103-85-9), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 3,6-dimethyl-1,4-benzoxazin-2-one.
Chemical Property Profile of 3,6-Dimethyl-1,4-benzoxazin-2-one
Property Insights of 3,6-Dimethyl-1,4-benzoxazin-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethyl-1,4-benzoxazin-2-one. With a topological polar surface area (TPSA) of 38.7 Ų, 3,6-Dimethyl-1,4-benzoxazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-1,4-benzoxazin-2-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 3,6-Dimethyl-1,4-benzoxazin-2-one?
The CAS number of 3,6-Dimethyl-1,4-benzoxazin-2-one is 62103-85-9.
What is the molecular formula of 3,6-Dimethyl-1,4-benzoxazin-2-one?
The molecular formula of 3,6-Dimethyl-1,4-benzoxazin-2-one is C10H9NO2.
What is the molecular weight of 3,6-Dimethyl-1,4-benzoxazin-2-one?
The molecular weight of 3,6-Dimethyl-1,4-benzoxazin-2-one is 175.06 g/mol.
Where can I buy 3,6-Dimethyl-1,4-benzoxazin-2-one?
You can request a quote for 3,6-Dimethyl-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 3,6-Dimethyl-1,4-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethyl-1,4-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.