7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one
TL;DR: 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one (CAS 167994-94-7) is a chemical compound with molecular formula C12H6ClNO2S and molecular weight 262.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
Also Known As: BAS 00720653, 7-chloro-2-(2-thienyl)-4H-3,1-benzoxazin-4-one, BIM-0031802.P001, AB00095974-01, 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one
| Molecular Formula | C12H6ClNO2S |
|---|---|
| Molecular Weight | 262.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.98077 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 167994-94-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)O2 |
| InChIKey | ZRBLGTMUYZEIPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one (CAS 167994-94-7), with molecular formula C12H6ClNO2S and molecular weight 262.98 g/mol. IUPAC: 7-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one.
Chemical Property Profile of 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one
Property Insights of 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one
The XLogP value of 3.6 indicates that 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one has 0 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 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one?
The CAS number of 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one is 167994-94-7.
What is the molecular formula of 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one is C12H6ClNO2S.
What is the molecular weight of 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one is 262.98 g/mol.
Where can I buy 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 7-chloro-2-(thiophen-2-yl)-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 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.