5'-(Sulfonylbenzoyl)adenosine
TL;DR: 5'-(Sulfonylbenzoyl)adenosine (CAS 57454-45-2) is a chemical compound with molecular formula C17H16FN5O7S and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate
Also Known As: 5'-(Sulfonylbenzoyl)adenosine, [8-14C]-Fluorosulfonylbenzoyladenosine, 5'-p-Fluorosulfonylbenzoyl adenosine-8-14C, 5'-O-[4-(Fluorosulfonyl)benzoyl](8-~14~C)adenosine, Fluorosulfonylbenzoyl-Adenosine, 5'-p-[Adenine-8-14C]-
| Molecular Formula | C17H16FN5O7S |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.07867 |
| Heavy Atoms | 31 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 57454-45-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3[14CH]=NC4=C(N=CN=C43)N)O)O)S(=O)(=O)F |
| InChIKey | AQZGKOBMIMVGMG-GQTHVETBSA-N |
Product Overview
5'-(Sulfonylbenzoyl)adenosine (CAS 57454-45-2), with molecular formula C17H16FN5O7S and molecular weight 455.08 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate.
Chemical Property Profile of 5'-(Sulfonylbenzoyl)adenosine
Property Insights of 5'-(Sulfonylbenzoyl)adenosine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-(Sulfonylbenzoyl)adenosine. The TPSA of 188.0 Ų indicates high polarity, suggesting 5'-(Sulfonylbenzoyl)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-(Sulfonylbenzoyl)adenosine has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-(Sulfonylbenzoyl)adenosine?
The CAS number of 5'-(Sulfonylbenzoyl)adenosine is 57454-45-2.
What is the molecular formula of 5'-(Sulfonylbenzoyl)adenosine?
The molecular formula of 5'-(Sulfonylbenzoyl)adenosine is C17H16FN5O7S.
What is the molecular weight of 5'-(Sulfonylbenzoyl)adenosine?
The molecular weight of 5'-(Sulfonylbenzoyl)adenosine is 455.08 g/mol.
Where can I buy 5'-(Sulfonylbenzoyl)adenosine?
You can request a quote for 5'-(Sulfonylbenzoyl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-(Sulfonylbenzoyl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for 5'-(Sulfonylbenzoyl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.