Linear-benzoadenosine diphosphate
TL;DR: Linear-benzoadenosine diphosphate (CAS 6310-74-3) is a chemical compound with molecular formula C14H17N5O10P2 and molecular weight 477.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: Lin-benzo-ADP, Linear-benzoadenosine diphosphate, [(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate, ((2R,3S,4R,5R)-5-(8-Amino-3H-imidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate, 3-{5-o-[hydroxy(phosphonooxy)phosphoryl]-
| Molecular Formula | C14H17N5O10P2 |
|---|---|
| Molecular Weight | 477.05 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.04507 |
| Heavy Atoms | 31 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 6310-74-3 |
|---|---|
| SMILES | C1=C2C(=CC3=C1N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O)N=CN=C2N |
| InChIKey | QMGBJUQQYZORLL-HKUMRIAESA-N |
Product Overview
Linear-benzoadenosine diphosphate (CAS 6310-74-3), with molecular formula C14H17N5O10P2 and molecular weight 477.05 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of Linear-benzoadenosine diphosphate
Property Insights of Linear-benzoadenosine diphosphate
The XLogP value of -3.6 indicates that Linear-benzoadenosine diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting Linear-benzoadenosine diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Linear-benzoadenosine diphosphate has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Linear-benzoadenosine diphosphate?
The CAS number of Linear-benzoadenosine diphosphate is 6310-74-3.
What is the molecular formula of Linear-benzoadenosine diphosphate?
The molecular formula of Linear-benzoadenosine diphosphate is C14H17N5O10P2.
What is the molecular weight of Linear-benzoadenosine diphosphate?
The molecular weight of Linear-benzoadenosine diphosphate is 477.05 g/mol.
Where can I buy Linear-benzoadenosine diphosphate?
You can request a quote for Linear-benzoadenosine diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linear-benzoadenosine diphosphate?
Yes, KEHONG BIO provides custom synthesis services for Linear-benzoadenosine diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.