Benzoadenosine 3'-5'-monophosphate
TL;DR: Benzoadenosine 3'-5'-monophosphate (CAS 6683-64-3) is a chemical compound with molecular formula C14H14N5O6P and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-6-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Also Known As: Benzoadenosine 3'-5'-monophosphate, KST-1A7350, (6r,7r)-6-(8-amino-3h-imidazo[4,5-g]quinazolin-3-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide, 3H-Imidazo(4,5-g)quinazolin-8-amine, 3-(3,5-O-phosphinico-beta-D-ribofuranosyl)-, 3H-Imidazo[4,5-g]quinazolin-8-amine,3-(3,5-O-phosphinico-b-D-ribofuranosyl)- (9CI)
| Molecular Formula | C14H14N5O6P |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.06818 |
| Heavy Atoms | 26 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 6683-64-3 |
|---|---|
| SMILES | C1C2C([C@H]([C@@H](O2)N3C=NC4=C3C=C5C(=C4)C(=NC=N5)N)O)OP(=O)(O1)O |
| InChIKey | WOBUZOBLIYQDII-YFTKGUKSSA-N |
Product Overview
Benzoadenosine 3'-5'-monophosphate (CAS 6683-64-3), with molecular formula C14H14N5O6P and molecular weight 379.07 g/mol. IUPAC: (6R,7R)-6-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol.
Chemical Property Profile of Benzoadenosine 3'-5'-monophosphate
Property Insights of Benzoadenosine 3'-5'-monophosphate
The XLogP value of -1.6 indicates that Benzoadenosine 3'-5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Benzoadenosine 3'-5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoadenosine 3'-5'-monophosphate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoadenosine 3'-5'-monophosphate?
The CAS number of Benzoadenosine 3'-5'-monophosphate is 6683-64-3.
What is the molecular formula of Benzoadenosine 3'-5'-monophosphate?
The molecular formula of Benzoadenosine 3'-5'-monophosphate is C14H14N5O6P.
What is the molecular weight of Benzoadenosine 3'-5'-monophosphate?
The molecular weight of Benzoadenosine 3'-5'-monophosphate is 379.07 g/mol.
Where can I buy Benzoadenosine 3'-5'-monophosphate?
You can request a quote for Benzoadenosine 3'-5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoadenosine 3'-5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for Benzoadenosine 3'-5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.