2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl- (CAS 57462-98-3) is a chemical compound with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-1,4-benzoxazin-3-one
Also Known As: 6-Chloro-4-(2,3-dihydroxypropyl)-2-phenyl-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-1,4-benzoxazin-3-one, BRN 1167357, RefChem:267979
| Molecular Formula | C17H16ClNO4 |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 2.1599 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.07678 |
| Heavy Atoms | 23 |
| Complexity | 706.9945 |
Chemical Identifiers
| CAS Number | 57462-98-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=O)N(C3=C(O2)C=CC(=C3)Cl)CC(CO)O |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl- (CAS 57462-98-3), with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol. IUPAC: 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-
The XLogP value of 2.1599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl- 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 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl- is 57462-98-3.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl- is C17H16ClNO4.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl- is 333.08 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl- 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-(2,3-dihydroxypropyl)-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.