TL;DR: CL 115999 (CAS 122744-25-6) is a chemical compound with molecular formula C23H37IO5 and molecular weight 520.1686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[(3aR,4R,5R,6aR)-4-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
Also Known As: CL 115999, 5-Iodo-5,6-dihydro-15-deoxy-16-hydroxy-16-vinylprostacyclin, methyl 5-[(3aR,4R,5R,6aR)-4-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate, 5,6-Dihydro-5-iodo-15-deoxy-16-hydroxy-16-vinylprostaglandin I2, Prost-13-en-1-oic acid, 6,9-epoxy-16-ethenyl-11,16-dihydroxy-5-iodo-, methyl ester, (9alpha,11alpha,13E)-
| Molecular Formula | C23H37IO5 |
| Molecular Weight | 520.1686 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 520.1686 Da |
| Heavy Atoms | 29 |
| Complexity | 565.0 |
| SMILES | CCCCC(C/C=C/[C@H]1[C@@H](C[C@@H]2[C@@H]1CC(O2)C(CCCC(=O)OC)I)O)(C=C)O |
| InChIKey | RCVQEPANKVORNY-KFGLQACNSA-N |
The XLogP value of 4.3 indicates that CL 115999 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CL 115999. Following Lipinski's Rule of Five, CL 115999 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CL 115999 is 122744-25-6.
The molecular formula of CL 115999 is C23H37IO5.
The molecular weight of CL 115999 is 520.1686 g/mol.
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