3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate
TL;DR: 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate (CAS 52042-40-7) is a chemical compound with molecular formula C15H16ClNO6 and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propyl] acetate
Also Known As: 4-(2,3-Bis(acetyloxy)propyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-, 3-Oxo-4-(2,3-diacetoxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine, 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate, [2-acetyloxy-3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propyl] acetate
| Molecular Formula | C15H16ClNO6 |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 1.5602 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.06662 |
| Heavy Atoms | 23 |
| Complexity | 632.3932 |
Chemical Identifiers
| CAS Number | 52042-40-7 |
|---|---|
| SMILES | CC(=O)OCC(CN1C(=O)COC2=C1C=C(C=C2)Cl)OC(=O)C |
Product Overview
3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate (CAS 52042-40-7), with molecular formula C15H16ClNO6 and molecular weight 341.07 g/mol. IUPAC: [2-acetyloxy-3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propyl] acetate.
Chemical Property Profile of 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate
Property Insights of 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate
The XLogP value of 1.5602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate. Following Lipinski's Rule of Five, 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate 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 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate?
The CAS number of 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate is 52042-40-7.
What is the molecular formula of 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate?
The molecular formula of 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate is C15H16ClNO6.
What is the molecular weight of 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate?
The molecular weight of 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate is 341.07 g/mol.
Where can I buy 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate?
You can request a quote for 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.