AL-6598
propan-2-yl 2-[(Z)-4-[(1R,2R,3R,5R)-5-chloro-2-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]but-2-enoxy]acetate
Also Known As: AL 6598|AL-6598|1321AH|Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester|AL-6598, AL6598, AL 6598|9-Chloro-15-cyclohexyl-11,15-dihydro-3-oxa-16,17,18,19,20-pentanor-prostenoic acid isopropyl ester (5Z,9R,11R,15R)|propan-2-yl 2-[(Z)-4-[(1R,2R,3R,5R)-5-chloro-2-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]but-2-enoxy]acetate|(5Z)-(9R,11R,15R)-9-chloro-15-cyclohexyl-11,15-dihydroxy-3-o|Acetic acid, ((4-(5-chloro-2-(3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester, (1R-(1alpha(Z),2beta(R*),3alpha,5beta))-|2-(((2Z)-4-((1R,2R,3R,5R)-5-Chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-buten-1-yl)oxy)-1-methylethyl ester, acetic acid|ACETIC ACID, ((4-(5-CHLORO-2-(3-CYCLOHEXYL-3-HYDROXYPROPYL)-3-HYDROXYCYCLOPENTYL)-2-BUTENYL)OXY)-, 1-METHYLETHYL ESTER, (1R-(1.ALPHA.(Z),2.BETA.(R*),3.ALPHA.,5.BETA.))-|isopropyl 2-[(Z)-4-[(1R,2R,3R,5R)-5-chloro-2-[(3R)-3-cyclohexyl-3-hydroxy-propyl]-3-hydroxy-cyclopentyl]but-2-enoxy]acetate
| Molecular Formula | C23H39ClO5 |
|---|---|
| Molecular Weight | 430.2486 g/mol |
| LogP | 4.2267 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 430.2486 |
| Monoisotopic Mass | 430.2486 |
| Heavy Atoms | 29 |
| Complexity | 503.49667 |
Chemical Identifiers
| CAS Number | 170291-06-2 |
|---|---|
| SMILES | CC(C)OC(=O)COC/C=C\C[C@H]1[C@@H](C[C@H]([C@@H]1CC[C@H](C2CCCCC2)O)O)Cl |
Product Overview
AL-6598 (CAS 170291-06-2), with molecular formula C23H39ClO5 and molecular weight 430.2486 g/mol. IUPAC: propan-2-yl 2-[(Z)-4-[(1R,2R,3R,5R)-5-chloro-2-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]but-2-enoxy]acetate.