TL;DR: Poricoic Acid A (CAS 137551-38-3) is a chemical compound with molecular formula C31H46O5 and molecular weight 498.33453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
Also Known As: Poricoic acid A, Poricoic acid A(F), PoricoicacidA, Poricoic acid B, HY-N2995
| Molecular Formula | C31H46O5 |
| Molecular Weight | 498.33453 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 498.33453 Da |
| Heavy Atoms | 36 |
| Complexity | 1000.0 |
| SMILES | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O |
| InChIKey | KVAQLXUMUVEKGR-SMFZDKLCSA-N |
The XLogP value of 6.4 indicates that Poricoic Acid A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Poricoic Acid A. Following Lipinski's Rule of Five, Poricoic Acid A has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Poricoic Acid A is 137551-38-3.
The molecular formula of Poricoic Acid A is C31H46O5.
The molecular weight of Poricoic Acid A is 498.33453 g/mol.
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