bis(N(6)-adenosyl)dodecane
TL;DR: bis(N(6)-adenosyl)dodecane (CAS 111863-65-1) is a chemical compound with molecular formula C32H48N10O8 and molecular weight 700.36566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]dodecylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: BNADD, Bis(N(6)-adenosyl)dodecane, Adenosine, N,N'-1,12-dodecanediylbis-, (2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]dodecylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C32H48N10O8 |
| Molecular Weight | 700.36566 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 251.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Exact Mass | 700.36566 Da |
| Heavy Atoms | 50 |
| Complexity | 939.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCCCCCCCCCCCCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O |
| InChIKey | UDFZRMFWXQQYTB-YHOFCQOESA-N |
Chemical Property Profile of bis(N(6)-adenosyl)dodecane
Property Insights of bis(N(6)-adenosyl)dodecane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bis(N(6)-adenosyl)dodecane. The TPSA of 251.0 Ų indicates high polarity, suggesting bis(N(6)-adenosyl)dodecane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, bis(N(6)-adenosyl)dodecane has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of bis(N(6)-adenosyl)dodecane?
The CAS number of bis(N(6)-adenosyl)dodecane is 111863-65-1.
What is the molecular formula of bis(N(6)-adenosyl)dodecane?
The molecular formula of bis(N(6)-adenosyl)dodecane is C32H48N10O8.
What is the molecular weight of bis(N(6)-adenosyl)dodecane?
The molecular weight of bis(N(6)-adenosyl)dodecane is 700.36566 g/mol.
Where can I buy bis(N(6)-adenosyl)dodecane?
You can request a quote for bis(N(6)-adenosyl)dodecane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for bis(N(6)-adenosyl)dodecane?
Yes, CoreyChem provides custom synthesis services for bis(N(6)-adenosyl)dodecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.