TL;DR: FR 901537 (CAS 161162-21-6) is a chemical compound with molecular formula C23H29N3O6S2 and molecular weight 507.14978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2,4-dihydroxy-N-[3-[2-[(6-hydroxy-2-oxo-1H-benzo[f][1,4]benzothiazin-5-yl)sulfanyl]ethylamino]-3-oxopropyl]-3,3-dimethylbutanamide
Also Known As: FR 901537, FR90I537, (2R)-2,4-dihydroxy-N-[3-[2-[(6-hydroxy-2-oxo-1H-benzo[f][1,4]benzothiazin-5-yl)sulfanyl]ethylamino]-3-oxopropyl]-3,3-dimethylbutanamide, Butanamide, N-(3-((2-((2,3-dihydro-6-hydroxy-2-oxo-1H-naphtho(2,1-b)(1,4)thiazin-5-yl)thio)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethyl-, (R)-, (R)-N-(3-((2-((2,3-Dihydro-6-hydroxy-2-oxo-1H-naphtho(2,1-b)(1,4)thiazin-5-yl)thio)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
| Molecular Formula | C23H29N3O6S2 |
| Molecular Weight | 507.14978 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 199.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.14978 Da |
| Heavy Atoms | 34 |
| Complexity | 739.0 |
| SMILES | CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSC1=C(C2=CC=CC=C2C3=C1SCC(=O)N3)O)O |
| InChIKey | HKEFKAJRMICMPZ-NRFANRHFSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FR 901537. The TPSA of 199.0 Ų indicates high polarity, suggesting FR 901537 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 901537 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of FR 901537 is 161162-21-6.
The molecular formula of FR 901537 is C23H29N3O6S2.
The molecular weight of FR 901537 is 507.14978 g/mol.
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