TL;DR: 2'-(3,3,5-Trimethyl-hexamethyleneimino)-5'-(4-methoxytrityl)-3'-deoxythymidine (CAS 134935-05-0) is a chemical compound with molecular formula C39H47N3O5 and molecular weight 637.35156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-(3,3,5-trimethylazepan-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 2'TriMeHexaCH2imino-5'(4MeOtrityl)dT, 2'-(3,3,5-Trimethyl-hexamethyleneimino)-5'-(4-methoxytrityl)-3'-deoxythymidine, Uridine, 2',3'-dideoxy-2'-(hexahydro-3,3,5-trimethyl-1H-azepin-1-yl)-5'-O-((4-methoxyphenyl)diphenylmethyl)-5-methyl-, 1-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3-(3,3,5-trimethylazepan-1-yl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione, 1-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-(3,3,5-trimethylazepan-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C39H47N3O5 |
| Molecular Weight | 637.35156 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 637.35156 Da |
| Heavy Atoms | 47 |
| Complexity | 1090.0 |
| SMILES | CC1CCN(CC(C1)(C)C)[C@@H]2C[C@H](O[C@H]2N3C=C(C(=O)NC3=O)C)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC |
| InChIKey | NWOKYWFQXYMJLW-ZCHFCSNTSA-N |
The XLogP value of 6.9 indicates that 2'-(3,3,5-Trimethyl-hexamethyleneimino)-5'-(4-methoxytrityl)-3'-deoxythymidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(3,3,5-Trimethyl-hexamethyleneimino)-5'-(4-methoxytrityl)-3'-deoxythymidine. Following Lipinski's Rule of Five, 2'-(3,3,5-Trimethyl-hexamethyleneimino)-5'-(4-methoxytrityl)-3'-deoxythymidine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-5'-(4-methoxytrityl)-3'-deoxythymidine is 134935-05-0.
The molecular formula of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-5'-(4-methoxytrityl)-3'-deoxythymidine is C39H47N3O5.
The molecular weight of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-5'-(4-methoxytrityl)-3'-deoxythymidine is 637.35156 g/mol.
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