(3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 459155-54-5) is a chemical compound with molecular formula C19H17Cl4NO5 and molecular weight 478.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,8,9-tetrachloro-4-(2-ethoxyphenyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C19H17Cl4NO5 |
|---|---|
| Molecular Weight | 478.99 g/mol |
| LogP | 3.8516 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.98608 |
| Heavy Atoms | 29 |
| Complexity | 902.2821 |
Chemical Identifiers
| CAS Number | 459155-54-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(OC)OC)Cl)Cl)Cl)Cl |
Product Overview
(3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 459155-54-5), with molecular formula C19H17Cl4NO5 and molecular weight 478.99 g/mol. IUPAC: 1,7,8,9-tetrachloro-4-(2-ethoxyphenyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 3.8516 indicates that (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 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 (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 459155-54-5.
What is the molecular formula of (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C19H17Cl4NO5.
What is the molecular weight of (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 478.99 g/mol.
Where can I buy (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-2-(2-ethoxyphenyl)-8,8-dimethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.