N,N'-Methylenebis(adenosine diphosphate)
TL;DR: N,N'-Methylenebis(adenosine diphosphate) (CAS 36115-82-9) is a chemical compound with molecular formula C21H26N10O8 and molecular weight 546.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[6-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Me-Bis(ADP), Methylene-bis-adenosine, Adenosine, N,N''-methylenebis-, KST-1A4213, KST-1A4214
| Molecular Formula | C21H26N10O8 |
|---|---|
| Molecular Weight | 546.19 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.1935 |
| Heavy Atoms | 39 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 36115-82-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O |
| InChIKey | LZYDDSMPHLWIAE-NAGRZYTCSA-N |
Product Overview
N,N'-Methylenebis(adenosine diphosphate) (CAS 36115-82-9), with molecular formula C21H26N10O8 and molecular weight 546.19 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of N,N'-Methylenebis(adenosine diphosphate)
Property Insights of N,N'-Methylenebis(adenosine diphosphate)
The XLogP value of -1.8 indicates that N,N'-Methylenebis(adenosine diphosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.0 Ų indicates high polarity, suggesting N,N'-Methylenebis(adenosine diphosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-Methylenebis(adenosine diphosphate) has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-Methylenebis(adenosine diphosphate)?
The CAS number of N,N'-Methylenebis(adenosine diphosphate) is 36115-82-9.
What is the molecular formula of N,N'-Methylenebis(adenosine diphosphate)?
The molecular formula of N,N'-Methylenebis(adenosine diphosphate) is C21H26N10O8.
What is the molecular weight of N,N'-Methylenebis(adenosine diphosphate)?
The molecular weight of N,N'-Methylenebis(adenosine diphosphate) is 546.19 g/mol.
Where can I buy N,N'-Methylenebis(adenosine diphosphate)?
You can request a quote for N,N'-Methylenebis(adenosine diphosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Methylenebis(adenosine diphosphate)?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Methylenebis(adenosine diphosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.