RefChem:1078793
TL;DR: RefChem:1078793 (CAS 154889-68-6) is a chemical compound with molecular formula C32H36BrN5O8 and molecular weight 697.17474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 8-(bromomethyl)-2-methyl-4-(4-methylpiperazine-1-carbonyl)oxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
Also Known As: KW 2189, Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-(((4-methyl-1-piperazinyl)carbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, Benzo[1,2-b:4,3-b']dipyrrole-1-carboxylic acid, 8-(bromomethyl)-3,6,7,8-tetrahydro-2-methyl-4-[[(4-methyl-1-piperazinyl)carbonyl]oxy]-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-, methyl ester, Benzo[1,2-b:4,3-b']dipyrrole-1-carboxylic acid,8-(bromomethyl)-3,6,7,8-tetrahydro-2-methyl-4-[[(4-methyl-1-piperazinyl)carbonyl]oxy]-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-,methyl ester, methyl 8-(bromomethyl)-2-methyl-4-(4-methylpiperazine-1-carbonyl)oxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
Technical Specifications
| Molecular Formula | C32H36BrN5O8 |
| Molecular Weight | 697.17474 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 697.17474 Da |
| Heavy Atoms | 46 |
| Complexity | 1130.0 |
| SMILES | CC1=C(C2=C3C(CN(C3=CC(=C2N1)OC(=O)N4CCN(CC4)C)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CBr)C(=O)OC |
| InChIKey | QRMNENFZDDYDEF-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1078793
Property Insights of RefChem:1078793
The XLogP value of 3.9 indicates that RefChem:1078793 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078793. Following Lipinski's Rule of Five, RefChem:1078793 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1078793?
The CAS number of RefChem:1078793 is 154889-68-6.
What is the molecular formula of RefChem:1078793?
The molecular formula of RefChem:1078793 is C32H36BrN5O8.
What is the molecular weight of RefChem:1078793?
The molecular weight of RefChem:1078793 is 697.17474 g/mol.
Where can I buy RefChem:1078793?
You can request a quote for RefChem:1078793 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1078793?
Yes, CoreyChem provides custom synthesis services for RefChem:1078793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.