2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl- (CAS 52042-32-7) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one
Also Known As: 4-(2,3-Dihydroxypropyl)-2-ethyl-2H-1,4-benzoxazin-3(4H)-one, 2-Ethyl-5-oxo-4-(2,3-dihydroxypropyl)-2,5-dihydro-1,4-benzoxazine, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl-, 4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one, 2-ethyl-3-oxo-4-(2,3-dihydroxy propyl)-2,3-dihydro-1,4-benzoxazine
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 0.5438 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 434.75436 |
Chemical Identifiers
| CAS Number | 52042-32-7 |
|---|---|
| SMILES | CCC1C(=O)N(C2=CC=CC=C2O1)CC(CO)O |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl- (CAS 52042-32-7), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl-
The XLogP value of 0.5438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 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, 4-(2,3-dihydroxypropyl)-2-ethyl-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 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, 4-(2,3-dihydroxypropyl)-2-ethyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl- is 52042-32-7.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl- is C13H17NO4.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl- is 251.12 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 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, 4-(2,3-dihydroxypropyl)-2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.