Benzoxecin-2,8(3H)-dione der.
TL;DR: Benzoxecin-2,8(3H)-dione der. (CAS 55129-60-7) is a chemical compound with molecular formula C15H16O5 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,8-dioxo-4,5,6,7-tetrahydro-3H-1-benzoxecin-10-yl) acetate
Also Known As: Benzoxecin-2,8(3H)-dione der., (2,8-dioxo-4,5,6,7-tetrahydro-3H-1-benzoxecin-10-yl) acetate, 2-Hydroxy-1-(3-methyl-6-isopropyl-phenoxy)-aethan, 2,8-Dioxo-3,4,5,6,7,8-hexahydro-2H-1-benzoxecin-10-yl acetate, 2H-1-Benzoxecin-2, 10-(acetyloxy)-4,5,6,7-tetrahydro-
| Molecular Formula | C15H16O5 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.09976 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 55129-60-7 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)OC(=O)CCCCCC2=O |
| InChIKey | GQIWVSJJJGSNGB-UHFFFAOYSA-N |
Product Overview
Benzoxecin-2,8(3H)-dione der. (CAS 55129-60-7), with molecular formula C15H16O5 and molecular weight 276.10 g/mol. IUPAC: (2,8-dioxo-4,5,6,7-tetrahydro-3H-1-benzoxecin-10-yl) acetate.
Chemical Property Profile of Benzoxecin-2,8(3H)-dione der.
Property Insights of Benzoxecin-2,8(3H)-dione der.
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxecin-2,8(3H)-dione der.. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoxecin-2,8(3H)-dione der.. Following Lipinski's Rule of Five, Benzoxecin-2,8(3H)-dione der. has 0 hydrogen bond donor(s) and 5 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 Benzoxecin-2,8(3H)-dione der.?
The CAS number of Benzoxecin-2,8(3H)-dione der. is 55129-60-7.
What is the molecular formula of Benzoxecin-2,8(3H)-dione der.?
The molecular formula of Benzoxecin-2,8(3H)-dione der. is C15H16O5.
What is the molecular weight of Benzoxecin-2,8(3H)-dione der.?
The molecular weight of Benzoxecin-2,8(3H)-dione der. is 276.10 g/mol.
Where can I buy Benzoxecin-2,8(3H)-dione der.?
You can request a quote for Benzoxecin-2,8(3H)-dione der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxecin-2,8(3H)-dione der.?
Yes, KEHONG BIO provides custom synthesis services for Benzoxecin-2,8(3H)-dione der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.