TL;DR: ddA analog (CAS 134934-48-8) is a chemical compound with molecular formula C54H52N6O5 and molecular weight 864.3999 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-morpholin-4-yloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-6-amine
Also Known As: ddA analog, 2'-Morpholino-5',N6-bis(4-methoxytrityl)-2',3'-dideoxyadenosine, Adenosine, 2',3'-dideoxy-N-((4-methoxyphenyl)diphenylmethyl)-5'-O-((4-methoxyphenyl)diphenylmethyl)-2'-(4-morpholinyl)-, 9-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-morpholin-4-yloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-6-amine, 2',3'-Dideoxy-N-[(4-methoxyphenyl)di(phenyl)methyl]-5'-O-[(4-methoxyphenyl)di(phenyl)methyl]-2'-(morpholin-4-yl)adenosine
| Molecular Formula | C54H52N6O5 |
| Molecular Weight | 864.3999 g/mol |
| XLogP | 9.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 864.3999 Da |
| Heavy Atoms | 65 |
| Complexity | 1380.0 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H](C[C@H](O6)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)N1CCOCC1 |
| InChIKey | RBLGRFBUZQTZLH-WHCCNUDUSA-N |
The XLogP value of 9.4 indicates that ddA analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ddA analog. Following Lipinski's Rule of Five, ddA analog has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ddA analog is 134934-48-8.
The molecular formula of ddA analog is C54H52N6O5.
The molecular weight of ddA analog is 864.3999 g/mol.
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