2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy- (CAS 13212-63-0) is a chemical compound with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-hydroxy-1,4-benzoxazin-3-one
Also Known As: 6-Cl-D-DIBOA, 9-Octadecen-12-ynoic acid, 6-chloro-4-hydroxy-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-, 6-Chloro-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C8H6ClNO3 |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.00362 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 13212-63-0 |
|---|---|
| SMILES | C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)O |
| InChIKey | YULGZUDKZCSWDA-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy- (CAS 13212-63-0), with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol. IUPAC: 6-chloro-4-hydroxy-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-. With a topological polar surface area (TPSA) of 49.8 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy- 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 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy- is 13212-63-0.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy- is C8H6ClNO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy- is 199.00 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.