TL;DR: 2H-1,4-Benzoxazine, 3,4-dihydro-3-(4-morpholinylmethyl)-, (S)- (CAS 131513-36-5) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
Also Known As: 2H-1,4-Benzoxazine, 3,4-dihydro-3-(4-morpholinylmethyl)-, (S)-, (3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine, (3S)-3-[(Morpholin-4-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.13683 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.13683 Da |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
| SMILES | C1COCCN1C[C@H]2COC3=CC=CC=C3N2 |
| InChIKey | PBDBHLSLPCKGRV-NSHDSACASA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazine, 3,4-dihydro-3-(4-morpholinylmethyl)-, (S)-. With a topological polar surface area (TPSA) of 33.7 Ų, 2H-1,4-Benzoxazine, 3,4-dihydro-3-(4-morpholinylmethyl)-, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine, 3,4-dihydro-3-(4-morpholinylmethyl)-, (S)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1,4-Benzoxazine, 3,4-dihydro-3-(4-morpholinylmethyl)-, (S)- is 131513-36-5.
The molecular formula of 2H-1,4-Benzoxazine, 3,4-dihydro-3-(4-morpholinylmethyl)-, (S)- is C13H18N2O2.
The molecular weight of 2H-1,4-Benzoxazine, 3,4-dihydro-3-(4-morpholinylmethyl)-, (S)- is 234.13683 g/mol.
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