2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl- (CAS 52042-34-9) is a chemical compound with molecular formula C13H16BrNO4 and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one
Also Known As: 6-Bromo-4-(2,3-dihydroxypropyl)-2-ethyl-2H-1,4-benzoxazin-3(4H)-one, 2-Ethyl-3-oxo-4-(2,3-dihydroxypropyl)-6-bromo-2,3-dihydro-1,4-benzoxazine, 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one, BRN 1140114
| Molecular Formula | C13H16BrNO4 |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 1.3063 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.02628 |
| Heavy Atoms | 19 |
| Complexity | 479.71106 |
Chemical Identifiers
| CAS Number | 52042-34-9 |
|---|---|
| SMILES | CCC1C(=O)N(C2=C(O1)C=CC(=C2)Br)CC(CO)O |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl- (CAS 52042-34-9), with molecular formula C13H16BrNO4 and molecular weight 329.03 g/mol. IUPAC: 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-
The XLogP value of 1.3063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-. 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-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl- 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-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl- is 52042-34-9.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl- is C13H16BrNO4.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl- is 329.03 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl- 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-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.