Presecamine
TL;DR: Presecamine (CAS 34643-12-4) is a chemical compound with molecular formula C42H52N4O4 and molecular weight 676.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl] 1-O-methyl 4a-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-9-methyl-3,4-dihydro-2H-carbazole-1,4-dicarboxylate
Also Known As: Presecamine, 4-{3-[2-(5-ethyl-3,6-dihydropyridin-1(2h)-yl)ethyl]-1h-indol-2-yl} 1-methyl 4a-[2-(5-ethyl-3,6-dihydropyridin-1(2h)-yl)ethyl]-9-methyl-3,4,4a,9-tetrahydro-2h-carbazole-1,4-dicarboxylate, 4a-(2-(3-Ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl)-4-(3-(2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl)-1H-indol-2-yl)-3,4,4a,9-tetrahydro-2H-carbazole-1,4-dicarboxylic acid, dimethyl ester, 2H-Carbazole-1,4-dicarboxylicacid,4a-[2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl]-4-[3-[2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl]-3,4,4a,9-tetrahydro-,dimethyl ester (9CI), 4-O-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl] 1-O-methyl 4a-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-9-methyl-3,4-dihydro-2H-carbazole-1,4-dicarboxylate
| Molecular Formula | C42H52N4O4 |
|---|---|
| Molecular Weight | 676.40 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 676.39886 |
| Heavy Atoms | 50 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 34643-12-4 |
|---|---|
| SMILES | CCC1=CCCN(C1)CCC2=C(NC3=CC=CC=C32)OC(=O)C4CCC(=C5C4(C6=CC=CC=C6N5C)CCN7CCC=C(C7)CC)C(=O)OC |
| InChIKey | NOVGFFYKUVNGHQ-UHFFFAOYSA-N |
Product Overview
Presecamine (CAS 34643-12-4), with molecular formula C42H52N4O4 and molecular weight 676.40 g/mol. IUPAC: 4-O-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl] 1-O-methyl 4a-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-9-methyl-3,4-dihydro-2H-carbazole-1,4-dicarboxylate.
Chemical Property Profile of Presecamine
Property Insights of Presecamine
The XLogP value of 6.9 indicates that Presecamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Presecamine. Following Lipinski's Rule of Five, Presecamine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Presecamine?
The CAS number of Presecamine is 34643-12-4.
What is the molecular formula of Presecamine?
The molecular formula of Presecamine is C42H52N4O4.
What is the molecular weight of Presecamine?
The molecular weight of Presecamine is 676.40 g/mol.
Where can I buy Presecamine?
You can request a quote for Presecamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Presecamine?
Yes, KEHONG BIO provides custom synthesis services for Presecamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.