4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one
TL;DR: 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one (CAS 80992-15-0) is a chemical compound with molecular formula C13H11Cl4NO3 and molecular weight 368.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrachloro-3-hydroxy-3-piperidin-1-yl-2-benzofuran-1-one
Also Known As: 3-hydroxy-3-piperidino-4,5,6,7-tetrachlorophthalide, 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidyl)isobenzofuran-1-one, 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one, 4,5,6,7-tetrachloro-3-hydroxy-3-piperidin-1-yl-2-benzofuran-1-one
| Molecular Formula | C13H11Cl4NO3 |
|---|---|
| Molecular Weight | 368.95 g/mol |
| LogP | 4.0591 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.9493 |
| Heavy Atoms | 21 |
| Complexity | 630.57776 |
Chemical Identifiers
| CAS Number | 80992-15-0 |
|---|---|
| SMILES | C1CCN(CC1)C2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)O |
Product Overview
4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one (CAS 80992-15-0), with molecular formula C13H11Cl4NO3 and molecular weight 368.95 g/mol. IUPAC: 4,5,6,7-tetrachloro-3-hydroxy-3-piperidin-1-yl-2-benzofuran-1-one.
Chemical Property Profile of 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one
Property Insights of 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one
The XLogP value of 4.0591 indicates that 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one has 1 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 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
The CAS number of 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one is 80992-15-0.
What is the molecular formula of 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
The molecular formula of 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one is C13H11Cl4NO3.
What is the molecular weight of 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
The molecular weight of 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one is 368.95 g/mol.
Where can I buy 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
You can request a quote for 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-tetrachloro-3-hydroxy-3-(1-piperidinyl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.