![1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester structure](/static/products/6846/68464-48-2.webp)
1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester
TL;DR: 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester (CAS 68464-48-2) is a chemical compound with molecular formula C17H13Cl4NO4 and molecular weight 434.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 6,7,8,9-tetrachloro-1-methyl-3a,9b-dihydrobenzo[g]indole-2,3-dicarboxylate
Also Known As: 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester, 2,3-dimethyl 6,7,8,9-tetrachloro-1-methyl-1H,3aH,9bH-benzo[g]indole-2,3-dicarboxylate, Dimethyl 6,7,8,9-tetrachloro-1-methyl-3a,9b-dihydro-1H-benzo[g]indole-2,3-dicarboxylate, Dimethyl 6,7,8,9-tetrachloro-1-methyl-3a,9b-dihydro-1H-benzo[g]indole-2,3-dicarboxylate #, dimethyl 6,7,8,9-tetrachloro-1-methyl-3a,9b-dihydrobenzo[g]indole-2,3-dicarboxylate
| Molecular Formula | C17H13Cl4NO4 |
|---|---|
| Molecular Weight | 434.96 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.95987 |
| Heavy Atoms | 26 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 68464-48-2 |
|---|---|
| SMILES | CN1C2C(C=CC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)C(=C1C(=O)OC)C(=O)OC |
| InChIKey | KOSZUKHODOWYQX-UHFFFAOYSA-N |
Product Overview
1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester (CAS 68464-48-2), with molecular formula C17H13Cl4NO4 and molecular weight 434.96 g/mol. IUPAC: dimethyl 6,7,8,9-tetrachloro-1-methyl-3a,9b-dihydrobenzo[g]indole-2,3-dicarboxylate.
Chemical Property Profile of 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester
Property Insights of 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester
The XLogP value of 4.9 indicates that 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester 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 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester?
The CAS number of 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester is 68464-48-2.
What is the molecular formula of 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester?
The molecular formula of 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester is C17H13Cl4NO4.
What is the molecular weight of 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester?
The molecular weight of 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester is 434.96 g/mol.
Where can I buy 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester?
You can request a quote for 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benz[g]indole-2,3-dicarboxylic acid, 6,7,8,9-tetrachloro-3a,9b-dihydro-1-methyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.