6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one
TL;DR: 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one (CAS 219773-69-0) is a chemical compound with molecular formula C14H11NO4S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-thiophen-2-yl-3,1-benzoxazin-4-one
Also Known As: 6,1-benzoxazine-2-one, Maybridge3_002443, 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one, 6,7-dimethoxy-2-thiophen-2-yl-3,1-benzoxazin-4-one, SDCCGMLS-0018335.P002
| Molecular Formula | C14H11NO4S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0409 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 219773-69-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=CS3)OC |
| InChIKey | XMPVZWXWJBMOPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one (CAS 219773-69-0), with molecular formula C14H11NO4S and molecular weight 289.04 g/mol. IUPAC: 6,7-dimethoxy-2-thiophen-2-yl-3,1-benzoxazin-4-one.
Chemical Property Profile of 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one
Property Insights of 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 6 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 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one?
The CAS number of 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one is 219773-69-0.
What is the molecular formula of 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one is C14H11NO4S.
What is the molecular weight of 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one is 289.04 g/mol.
Where can I buy 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.