TL;DR: 2'-(2-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine (CAS 134934-74-0) is a chemical compound with molecular formula C54H54N6O5 and molecular weight 866.4156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4R,5R)-4-(butan-2-ylamino)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-ol
Also Known As: 2'(2BuNH)5',N6(4MeOTrityl)dA, 2'-(2-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine, 9H-Purin-6-amine, 9-(2-deoxy-5-O-((4-methoxyphenyl)diphenylmethyl)-2-((1-methylpropyl)amino)-beta-D-xylofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-, (2R,3R,4R,5R)-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-5-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-4-(sec-butylamino)tetrahydrofuran-3-ol, (2R,3R,4R,5R)-4-(butan-2-ylamino)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-ol
| Molecular Formula | C54H54N6O5 |
| Molecular Weight | 866.4156 g/mol |
| XLogP | 9.6 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 866.4156 Da |
| Heavy Atoms | 65 |
| Complexity | 1370.0 |
| SMILES | CCC(C)N[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)O |
| InChIKey | SZSVDJIFHQTNFR-GEVJJDOZSA-N |
The XLogP value of 9.6 indicates that 2'-(2-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(2-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine. Following Lipinski's Rule of Five, 2'-(2-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2'-(2-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine is 134934-74-0.
The molecular formula of 2'-(2-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine is C54H54N6O5.
The molecular weight of 2'-(2-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine is 866.4156 g/mol.
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