TL;DR: 9-Undecenoic acid, 11-hydroxy-11-(3-pentyloxiranyl)-, methyl ester, (2S-(2a(9Z,11R*),3b))- (CAS 103189-50-0) is a chemical compound with molecular formula C19H34O4 and molecular weight 326.2457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (Z,11S)-11-hydroxy-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoate
Also Known As: 9-Undecenoic acid, 11-hydroxy-11-(3-pentyloxiranyl)-, methyl ester, (2S-(2a(9Z,11R*),3b))-, methyl (Z,11S)-11-hydroxy-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoate, 9-Undecenoic acid, 11-hydroxy-11-(3-pentyloxiranyl)-, methyl ester, (2alpha(9Z,11R*),3beta)-
| Molecular Formula | C19H34O4 |
| Molecular Weight | 326.2457 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 326.2457 Da |
| Heavy Atoms | 23 |
| Complexity | 340.0 |
| SMILES | CCCCC[C@@H]1[C@@H](O1)[C@H](/C=C\CCCCCCCC(=O)OC)O |
| InChIKey | KUCGUAVQKWTIDU-UWNLWECHSA-N |
The XLogP value of 4.8 indicates that 9-Undecenoic acid, 11-hydroxy-11-(3-pentyloxiranyl)-, methyl ester, (2S-(2a(9Z,11R*),3b))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 9-Undecenoic acid, 11-hydroxy-11-(3-pentyloxiranyl)-, methyl ester, (2S-(2a(9Z,11R*),3b))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Undecenoic acid, 11-hydroxy-11-(3-pentyloxiranyl)-, methyl ester, (2S-(2a(9Z,11R*),3b))- 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 9-Undecenoic acid, 11-hydroxy-11-(3-pentyloxiranyl)-, methyl ester, (2S-(2a(9Z,11R*),3b))- is 103189-50-0.
The molecular formula of 9-Undecenoic acid, 11-hydroxy-11-(3-pentyloxiranyl)-, methyl ester, (2S-(2a(9Z,11R*),3b))- is C19H34O4.
The molecular weight of 9-Undecenoic acid, 11-hydroxy-11-(3-pentyloxiranyl)-, methyl ester, (2S-(2a(9Z,11R*),3b))- is 326.2457 g/mol.
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