TL;DR: 7-Methyl-10-bromoacetamidomethylcamptothecin (CAS 131206-46-7) is a chemical compound with molecular formula C24H22BrN3O5 and molecular weight 511.07428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-N-[[(19S)-19-ethyl-19-hydroxy-10-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl]methyl]acetamide
Also Known As: Brcptme, 7-Methyl-10-bromoacetamidomethylcamptothecin, 2-bromo-N-[[(19S)-19-ethyl-19-hydroxy-10-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl]methyl]acetamide, Acetamide, 2-bromo-N-((4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-11-methyl-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl)methyl)-, (S)-, 2-Bromo-N-{[(4S)-4-ethyl-4-hydroxy-11-methyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]methyl}acetamide
| Molecular Formula | C24H22BrN3O5 |
| Molecular Weight | 511.07428 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.07428 Da |
| Heavy Atoms | 33 |
| Complexity | 948.0 |
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4C)CNC(=O)CBr)O |
| InChIKey | BWPHBAPTSMFHFB-DEOSSOPVSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-10-bromoacetamidomethylcamptothecin. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methyl-10-bromoacetamidomethylcamptothecin. Following Lipinski's Rule of Five, 7-Methyl-10-bromoacetamidomethylcamptothecin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7-Methyl-10-bromoacetamidomethylcamptothecin is 131206-46-7.
The molecular formula of 7-Methyl-10-bromoacetamidomethylcamptothecin is C24H22BrN3O5.
The molecular weight of 7-Methyl-10-bromoacetamidomethylcamptothecin is 511.07428 g/mol.
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