TL;DR: 4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside (CAS 115888-92-1) is a chemical compound with molecular formula C25H28O4 and molecular weight 392.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-(3-benzylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: 4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside, Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-(phenylmethyl)phenyl)methyl ester, (1R-(1alpha,3beta(E)))-, (1R)-2beta-[(E)-2-(Methoxycarbonyl)-1-propenyl]-3,3-dimethylcyclopropane-1alpha-carboxylic acid m-benzylbenzyl ester, (3-benzylphenyl)methyl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate, (3-benzylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.19876 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 392.19876 Da |
| Heavy Atoms | 29 |
| Complexity | 614.0 |
| SMILES | C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC=CC(=C2)CC3=CC=CC=C3)/C(=O)OC |
| InChIKey | VTWKGSIOKGESBX-UENYVFPPSA-N |
The XLogP value of 6.4 indicates that 4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside is 115888-92-1.
The molecular formula of 4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside is C25H28O4.
The molecular weight of 4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside is 392.19876 g/mol.
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