4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one
TL;DR: 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one (CAS 135872-94-5) is a chemical compound with molecular formula C9H5Cl4NO2 and molecular weight 298.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,8,9-tetrachloro-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 1,7,8,9-tetrachloro-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-, 4,7-Methano-1H-isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-3a,4,7,7a-tetrahydro-, 1,4,5,6-Tetrachloro-bicyclo(2.2.1)hept-5-ene-2,3-carboxamide, 4,5,6,7-Tetrachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C9H5Cl4NO2 |
|---|---|
| Molecular Weight | 298.91 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.90744 |
| Heavy Atoms | 16 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 135872-94-5 |
|---|---|
| SMILES | C1C2(C3C(C1(C(=C2Cl)Cl)Cl)C(=O)NC3=O)Cl |
| InChIKey | UPGSFLYHZCTRMC-UHFFFAOYSA-N |
Product Overview
4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one (CAS 135872-94-5), with molecular formula C9H5Cl4NO2 and molecular weight 298.91 g/mol. IUPAC: 1,7,8,9-tetrachloro-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one
Property Insights of 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one. With a topological polar surface area (TPSA) of 46.2 Ų, 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one has 1 hydrogen bond donor(s) and 2 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-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one?
The CAS number of 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one is 135872-94-5.
What is the molecular formula of 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one?
The molecular formula of 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one is C9H5Cl4NO2.
What is the molecular weight of 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one?
The molecular weight of 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one is 298.91 g/mol.
Where can I buy 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one?
You can request a quote for 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-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-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrachloro-3-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.