TL;DR: (4S,5R)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1,3,2 (CAS 142033-90-7) is a chemical compound with molecular formula C12H18NO4PS and molecular weight 303.06943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,5R)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
Also Known As: (4S,5R)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1,3,2, 1,3,2-Oxazaphospholidine, 2-(ethylsulfonyl)-3,4-dimethyl-5-phenyl-, 2-oxide, (2S-(2alpha,4beta,5beta))-, (4S,5R)-2-(Ethanesulfonyl)-3,4-dimethyl-5-phenyl-1,3,2lambda~5~-oxazaphospholidin-2-one, 2-(Ethanesulfonyl)-3,4-dimethyl-5-phenyl-1,3,2lambda~5~-oxazaphospholidin-2-one, (4S,5S)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2$l^{5}-phosphacyclopentane 2-oxide
| Molecular Formula | C12H18NO4PS |
| Molecular Weight | 303.06943 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.06943 Da |
| Heavy Atoms | 19 |
| Complexity | 467.0 |
| SMILES | CCS(=O)(=O)P1(=O)N([C@H]([C@H](O1)C2=CC=CC=C2)C)C |
| InChIKey | YFIBQVGZFYDUIC-NTMPORJMSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S,5R)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1,3,2. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S,5R)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1,3,2. Following Lipinski's Rule of Five, (4S,5R)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1,3,2 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4S,5R)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1,3,2 is 142033-90-7.
The molecular formula of (4S,5R)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1,3,2 is C12H18NO4PS.
The molecular weight of (4S,5R)-2-ethylsulfonyl-3,4-dimethyl-5-phenyl-1,3,2 is 303.06943 g/mol.
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