2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl- (CAS 52042-39-4) is a chemical compound with molecular formula C17H20ClNO6 and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-3-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propyl] acetate
Also Known As: 4-(2,3-Bis(acetyloxy)propyl)-6-chloro-2-ethyl-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl-, 2-Ethyl-3-oxo-4-(2,3-diacetoxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine, [2-acetyloxy-3-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propyl] acetate, 3-(6-Chloro-2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate
| Molecular Formula | C17H20ClNO6 |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 2.3388 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0979 |
| Heavy Atoms | 25 |
| Complexity | 677.102 |
Chemical Identifiers
| CAS Number | 52042-39-4 |
|---|---|
| SMILES | CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(COC(=O)C)OC(=O)C |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl- (CAS 52042-39-4), with molecular formula C17H20ClNO6 and molecular weight 369.10 g/mol. IUPAC: [2-acetyloxy-3-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propyl] acetate.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl-
The XLogP value of 2.3388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl-. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl- has 0 hydrogen bond donor(s) and 6 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-bis(acetyloxy)propyl)-6-chloro-2-ethyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl- is 52042-39-4.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl- is C17H20ClNO6.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl- is 369.10 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-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-bis(acetyloxy)propyl)-6-chloro-2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.