TL;DR: PD 132002 (CAS 134452-04-3) is a chemical compound with molecular formula C31H50N4O9S and molecular weight 654.32983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate
Also Known As: PD 132002, methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate, (1S-(1R*,2S*,3R*))-N-(4-Morpholinylsulfonyl)-L-phenylalanyl-N-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-O-methyl-3-oxo-L-serinamide, 3-((1-(Cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)amino)-N-(N-(4-morpholinosulfonyl)phenylalanyl)-3-oxo-DL-alanine methyl ester, (2S)-N-{N-[(2S,4S)-1-Cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-O-methyl-3-oxo-L-seryl}-2-(morpholine-4-sulfonamido)-3-phenylpropanimidic acid
| Molecular Formula | C31H50N4O9S |
| Molecular Weight | 654.32983 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 654.32983 Da |
| Heavy Atoms | 45 |
| Complexity | 1040.0 |
| SMILES | CC(C)C[C@@H](C([C@H](CC1CCCCC1)N[C@H](C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)C(=O)OC)O)O |
| InChIKey | KVWIDDBNLMCWAT-QSKQZBQPSA-N |
The XLogP value of 3.3 indicates that PD 132002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting PD 132002 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PD 132002 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of PD 132002 is 134452-04-3.
The molecular formula of PD 132002 is C31H50N4O9S.
The molecular weight of PD 132002 is 654.32983 g/mol.
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