4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one
TL;DR: 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one (CAS 13152-85-7) is a chemical compound with molecular formula C10H3Cl9O3 and molecular weight 485.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,8,9,10,10-hexachloro-5-hydroxy-5-(trichloromethyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
Also Known As: 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one
| Molecular Formula | C10H3Cl9O3 |
|---|---|
| Molecular Weight | 485.73 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 485.7279 |
| Heavy Atoms | 22 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 13152-85-7 |
|---|---|
| SMILES | C12C(C3(C(=C(C1(C3(Cl)Cl)Cl)Cl)Cl)Cl)C(OC2=O)(C(Cl)(Cl)Cl)O |
| InChIKey | XZZWHMRDJPMXJY-UHFFFAOYSA-N |
Product Overview
4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one (CAS 13152-85-7), with molecular formula C10H3Cl9O3 and molecular weight 485.73 g/mol. IUPAC: 1,7,8,9,10,10-hexachloro-5-hydroxy-5-(trichloromethyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.
Chemical Property Profile of 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one
Property Insights of 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one
The XLogP value of 4.0 indicates that 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-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, 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-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 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one?
The CAS number of 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one is 13152-85-7.
What is the molecular formula of 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one?
The molecular formula of 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one is C10H3Cl9O3.
What is the molecular weight of 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one?
The molecular weight of 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one is 485.73 g/mol.
Where can I buy 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one?
You can request a quote for 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-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 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.