1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride
TL;DR: 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride (CAS 125503-58-4) is a chemical compound with molecular formula C34H54Cl2N2O4 and molecular weight 624.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)butan-2-yl] benzene-1,2-dicarboxylate;dihydrochloride
Also Known As: 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride, 1,2-Benzenedicarboxylic acid,bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester,dihydrochloride, bis[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)butan-2-yl] benzene-1,2-dicarboxylate dihydrochloride, bis[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)butan-2-yl] benzene-1,2-dicarboxylate,dihydrochloride, Bis[4-(1-methyloctahydro-1H-indol-2-yl)butan-2-yl] benzene-1,2-dicarboxylate--hydrogen chloride (1/2)
| Molecular Formula | C34H54Cl2N2O4 |
|---|---|
| Molecular Weight | 624.35 g/mol |
| LogP | 7.707 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 624.34607 |
| Heavy Atoms | 42 |
| Complexity | 946.011 |
Chemical Identifiers
| CAS Number | 125503-58-4 |
|---|---|
| SMILES | CC(CCC1CC2CCCCC2N1C)OC(=O)C3=CC=CC=C3C(=O)OC(C)CCC4CC5CCCCC5N4C.Cl.Cl |
Product Overview
1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride (CAS 125503-58-4), with molecular formula C34H54Cl2N2O4 and molecular weight 624.35 g/mol. IUPAC: bis[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)butan-2-yl] benzene-1,2-dicarboxylate;dihydrochloride.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride
Property Insights of 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride
The XLogP value of 7.707 indicates that 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride?
The CAS number of 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride is 125503-58-4.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride?
The molecular formula of 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride is C34H54Cl2N2O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride?
The molecular weight of 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride is 624.35 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride?
You can request a quote for 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.