TL;DR: UP202-56 (CAS 163838-04-8) is a chemical compound with molecular formula C33H37N7O4 and molecular weight 595.2907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4R,5R)-N-cyclopropyl-5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]-5-methylindol-3-yl]ethylamino]purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: UP202-56, UP-202-56, (2S,3S,4R,5R)-N-cyclopropyl-5-{6-[(2-{1-[(2,5-dimethylphenyl)methyl]-5-methyl-1H-indol-3-yl}ethyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolane-2-carboxamide, 1-[6-[[2-[1-(2,5-Dimethylbenzyl)-5-methyl-1H-indol-3-yl]ethyl]amino]-9H-purin-9-yl]-N-cyclopropyl-1-deoxy-beta-D-ribofuranuronamide, T13256
| Molecular Formula | C33H37N7O4 |
| Molecular Weight | 595.2907 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 595.2907 Da |
| Heavy Atoms | 44 |
| Complexity | 1000.0 |
| SMILES | CC1=CC(=C(C=C1)C)CN2C=C(C3=C2C=CC(=C3)C)CCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)C(=O)NC7CC7)O)O |
| InChIKey | HBEKNFMTMCSILQ-KCIBBDPESA-N |
The XLogP value of 4.0 indicates that UP202-56 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UP202-56. Following Lipinski's Rule of Five, UP202-56 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of UP202-56 is 163838-04-8.
The molecular formula of UP202-56 is C33H37N7O4.
The molecular weight of UP202-56 is 595.2907 g/mol.
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