Adenosine, 2-bromo-, 5'-sulfamate
TL;DR: Adenosine, 2-bromo-, 5'-sulfamate (CAS 136994-93-9) is a chemical compound with molecular formula C10H13BrN6O6S and molecular weight 423.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-amino-2-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Also Known As: 2-bromo-5'-o-sulfamoyladenosine, Adenosine, 2-bromo-, 5'-sulfamate, 5'-O-sulfamoyl 2-bromoadenosine, 2-Bromo-5 -O-sulfamoyladenosine, J3.494.321D
| Molecular Formula | C10H13BrN6O6S |
|---|---|
| Molecular Weight | 423.98 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.98007 |
| Heavy Atoms | 24 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 136994-93-9 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Br)N |
| InChIKey | VPWOATHUXGHCPI-UUOKFMHZSA-N |
Product Overview
Adenosine, 2-bromo-, 5'-sulfamate (CAS 136994-93-9), with molecular formula C10H13BrN6O6S and molecular weight 423.98 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-amino-2-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate.
Chemical Property Profile of Adenosine, 2-bromo-, 5'-sulfamate
Property Insights of Adenosine, 2-bromo-, 5'-sulfamate
The XLogP value of -2.0 indicates that Adenosine, 2-bromo-, 5'-sulfamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting Adenosine, 2-bromo-, 5'-sulfamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine, 2-bromo-, 5'-sulfamate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosine, 2-bromo-, 5'-sulfamate?
The CAS number of Adenosine, 2-bromo-, 5'-sulfamate is 136994-93-9.
What is the molecular formula of Adenosine, 2-bromo-, 5'-sulfamate?
The molecular formula of Adenosine, 2-bromo-, 5'-sulfamate is C10H13BrN6O6S.
What is the molecular weight of Adenosine, 2-bromo-, 5'-sulfamate?
The molecular weight of Adenosine, 2-bromo-, 5'-sulfamate is 423.98 g/mol.
Where can I buy Adenosine, 2-bromo-, 5'-sulfamate?
You can request a quote for Adenosine, 2-bromo-, 5'-sulfamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine, 2-bromo-, 5'-sulfamate?
Yes, KEHONG BIO provides custom synthesis services for Adenosine, 2-bromo-, 5'-sulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.