1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-
TL;DR: 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- (CAS 125503-52-8) is a chemical compound with molecular formula C30H46Cl2N2O4 and molecular weight 568.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-[3-[(2R,3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]propyl] 3-O-[3-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propyl] benzene-1,3-dicarboxylate;dihydrochloride
Also Known As: 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-, 3-[(2R,3aS,6aS)-1-Methyloctahydrocyclopenta[b]pyrrol-2-yl]propyl 3-(1-methyloctahydrocyclopenta[b]pyrrol-2-yl)propyl benzene-1,3-dicarboxylate--hydrogen chloride (1/2), 3-O-[3-[(2R,3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]propyl] 1-O-[3-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propyl] benzene-1,3-dicarboxylate dihydrochloride, Bis[3-(1-methyloctahydrocyclopenta[b]pyrrol-2-yl)propyl] benzene-1,3-dicarboxylate--hydrogen chloride (1/2), Bis[3-(6-methyl-6-azabicyclo[3.3.0]oct-7-yl)propyl] Benzene-1,3-dicarboxylate Dihydrochloride
| Molecular Formula | C30H46Cl2N2O4 |
|---|---|
| Molecular Weight | 568.28 g/mol |
| LogP | 6.1498 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 568.28345 |
| Heavy Atoms | 38 |
| Complexity | 862.01886 |
Chemical Identifiers
| CAS Number | 125503-52-8 |
|---|---|
| SMILES | CN1[C@H]2CCC[C@H]2C[C@H]1CCCOC(=O)C3=CC=CC(=C3)C(=O)OCCCC4CC5CCCC5N4C.Cl.Cl |
Product Overview
1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- (CAS 125503-52-8), with molecular formula C30H46Cl2N2O4 and molecular weight 568.28 g/mol. IUPAC: 1-O-[3-[(2R,3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]propyl] 3-O-[3-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propyl] benzene-1,3-dicarboxylate;dihydrochloride.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-
Property Insights of 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-
The XLogP value of 6.1498 indicates that 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- 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 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-?
The CAS number of 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- is 125503-52-8.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-?
The molecular formula of 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- is C30H46Cl2N2O4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-?
The molecular weight of 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- is 568.28 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-?
You can request a quote for 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.