6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 52042-27-0) is a chemical compound with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-(2,3-dihydroxypropyl)-1,4-benzoxazin-3-one
Also Known As: 6-Chloro-4- -2H-1,4-benzoxazin-3 -one, 3-Oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine, 6-chloro-4-(2,3-dihydroxypropyl)-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-, 6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C11H12ClNO4 |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.04547 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 52042-27-0 |
|---|---|
| SMILES | C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(CO)O |
| InChIKey | XDCFGLSPLPULQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 52042-27-0), with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol. IUPAC: 6-chloro-4-(2,3-dihydroxypropyl)-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one has 2 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 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one is 52042-27-0.
What is the molecular formula of 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one is C11H12ClNO4.
What is the molecular weight of 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one is 257.05 g/mol.
Where can I buy 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.