TL;DR: CCRIS 1523 (CAS 107534-94-1) is a chemical compound with molecular formula C32H44Cl2N2O3 and molecular weight 574.2729 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl) 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: 17-Hydroxy-4-aza-A-nor-5-androsten-3-one (4-N,N-bis(2-chloroethylamino)phenyl)butyrate, 1H-Indeno(5,4-f)quinoline, 4-azaandrost-5-en-3-one deriv., (9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl) 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, 17-beta-Hydroxy-4-aza-A-nor-5-androsten-3-one p-N,N-bis(2-chloroethyl)aminophenylbutyrate, 17-beta-Hydroxy-4-aza-a-nor-5-androsten-3-one-N,N-bis-(2-chloroethyl)aminophenylbutyrate
| Molecular Formula | C32H44Cl2N2O3 |
| Molecular Weight | 574.2729 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 574.2729 Da |
| Heavy Atoms | 39 |
| Complexity | 913.0 |
| SMILES | CC12CCC3C(C1CCC2OC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CC=C5C3(CCC(=O)N5)C |
| InChIKey | ZWUCNQLCSQYDDQ-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that CCRIS 1523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, CCRIS 1523 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CCRIS 1523 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CCRIS 1523 is 107534-94-1.
The molecular formula of CCRIS 1523 is C32H44Cl2N2O3.
The molecular weight of CCRIS 1523 is 574.2729 g/mol.
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