TL;DR: (S)-Tenofovir Disoproxil Fumarate (CAS 1432630-26-6) is a chemical compound with molecular formula C23H34N5O14P and molecular weight 635.18396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
Also Known As: (S)-Tenofovir Disoproxil Fumarate, Tenofovir (S)-Enantiomer, S-Tenofovir disoproxil fumarate, Tenofovir disoproxil Impurity 1, Tenofovir Disoproxil Fumarate Isomer
| Molecular Formula | C23H34N5O14P |
| Molecular Weight | 635.18396 g/mol |
| XLogP | 2.7474 |
| Topological Polar Surface Area (TPSA) | 260.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Exact Mass | 635.18396 Da |
| Heavy Atoms | 43 |
| Complexity | 817.0 |
| SMILES | C[C@@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | VCMJCVGFSROFHV-KZHAMYRLSA-N |
The XLogP value of 2.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Tenofovir Disoproxil Fumarate. The TPSA of 260.0 Ų indicates high polarity, suggesting (S)-Tenofovir Disoproxil Fumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-Tenofovir Disoproxil Fumarate has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (S)-Tenofovir Disoproxil Fumarate is 1432630-26-6.
The molecular formula of (S)-Tenofovir Disoproxil Fumarate is C23H34N5O14P.
The molecular weight of (S)-Tenofovir Disoproxil Fumarate is 635.18396 g/mol.
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