TL;DR: Carzelesin (CAS 119813-10-4) is a chemical compound with molecular formula C41H37ClN6O5 and molecular weight 728.2514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-(chloromethyl)-6-[5-[[6-(diethylamino)-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl] N-phenylcarbamate
Also Known As: Carzelesin, Analog of CC-1065, Carzelesin [USAN:INN], CC-1065 ANALOG, NCI60_005682
| Molecular Formula | C41H37ClN6O5 |
| Molecular Weight | 728.2514 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 728.2514 Da |
| Heavy Atoms | 53 |
| Complexity | 1320.0 |
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5CC(C6=C7C(=CNC7=C(C=C65)OC(=O)NC8=CC=CC=C8)C)CCl |
| InChIKey | BBZDXMBRAFTCAA-UHFFFAOYSA-N |
The XLogP value of 7.9 indicates that Carzelesin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carzelesin. Following Lipinski's Rule of Five, Carzelesin has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carzelesin is 119813-10-4.
The molecular formula of Carzelesin is C41H37ClN6O5.
The molecular weight of Carzelesin is 728.2514 g/mol.
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