TL;DR: SB-743921 free base (CAS 1067881-56-4) is a chemical compound with molecular formula C31H33ClN2O3 and molecular weight 516.21796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide
Also Known As: SB-743921 free base, SB743921 hydrochloride, SB-743921 (free base), SB-743921 hydrochloride, SB 743921 [WHO-DD]
| Molecular Formula | C31H33ClN2O3 |
| Molecular Weight | 516.21796 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.21796 Da |
| Heavy Atoms | 37 |
| Complexity | 813.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C |
| InChIKey | PGXYIBJJCLWJST-MUUNZHRXSA-N |
The XLogP value of 6.2 indicates that SB-743921 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for SB-743921 free base. Following Lipinski's Rule of Five, SB-743921 free base has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of SB-743921 free base is 1067881-56-4.
The molecular formula of SB-743921 free base is C31H33ClN2O3.
The molecular weight of SB-743921 free base is 516.21796 g/mol.
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