3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one
TL;DR: 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one (CAS 13152-81-3) is a chemical compound with molecular formula C10H11Cl3O3 and molecular weight 283.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-5-(trichloromethyl)-4-oxatricyclo[5.2.1.02,6]decan-3-one
Also Known As: N-Isobutylidenvalin, 3-hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one, 3-hydroxy-3-(trichloromethyl)hexahydro-4,7-methanoisobenzofuran-1(3H)-one
| Molecular Formula | C10H11Cl3O3 |
|---|---|
| Molecular Weight | 283.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 283.9774 |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 13152-81-3 |
|---|---|
| SMILES | C1CC2CC1C3C2C(OC3=O)(C(Cl)(Cl)Cl)O |
| InChIKey | MTRSSLCEOAVATA-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one (CAS 13152-81-3), with molecular formula C10H11Cl3O3 and molecular weight 283.98 g/mol. IUPAC: 5-hydroxy-5-(trichloromethyl)-4-oxatricyclo[5.2.1.02,6]decan-3-one.
Chemical Property Profile of 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one
Property Insights of 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one
The XLogP value of 3.0 indicates that 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-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 46.5 Ų, 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one has 1 hydrogen bond donor(s) and 3 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-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one?
The CAS number of 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one is 13152-81-3.
What is the molecular formula of 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one?
The molecular formula of 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one is C10H11Cl3O3.
What is the molecular weight of 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one?
The molecular weight of 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one is 283.98 g/mol.
Where can I buy 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one?
You can request a quote for 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-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 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-(trichloromethyl)hexahydro-4,7-methano-2-benzofuran-1(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.