腺苷5'-(2-溴乙基)磷酸酯
TL;DR: 腺苷5'-(2-溴乙基)磷酸酯 (CAS 75203-44-0) is a chemical compound with molecular formula C12H17BrN5O7P and molecular weight 453.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
腺苷5'-(2-溴乙基)磷酸酯
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-bromoethyl hydrogen phosphate
Also Known As: 5'-Bretamp, adenosine5'- phosphate, Adenosine 5'-(2-bromoethyl)phosphate, Adenosine 5'-(2-bromoethyl)-phosphate, 5'-Adenylic acid, mono(2-bromoethyl) ester
| Molecular Formula | C12H17BrN5O7P |
|---|---|
| Molecular Weight | 453.00 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.0049 |
| Heavy Atoms | 26 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 75203-44-0 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OCCBr)O)O)N |
| InChIKey | FDNIXZSPWUGXRU-WOUKDFQISA-N |
Product Overview
腺苷5'-(2-溴乙基)磷酸酯 (CAS 75203-44-0), with molecular formula C12H17BrN5O7P and molecular weight 453.00 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-bromoethyl hydrogen phosphate.
Chemical Property Profile of 腺苷5'-(2-溴乙基)磷酸酯
Property Insights of 腺苷5'-(2-溴乙基)磷酸酯
The XLogP value of -2.2 indicates that 腺苷5'-(2-溴乙基)磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 腺苷5'-(2-溴乙基)磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 腺苷5'-(2-溴乙基)磷酸酯 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 腺苷5'-(2-溴乙基)磷酸酯?
The CAS number of 腺苷5'-(2-溴乙基)磷酸酯 is 75203-44-0.
What is the molecular formula of 腺苷5'-(2-溴乙基)磷酸酯?
The molecular formula of 腺苷5'-(2-溴乙基)磷酸酯 is C12H17BrN5O7P.
What is the molecular weight of 腺苷5'-(2-溴乙基)磷酸酯?
The molecular weight of 腺苷5'-(2-溴乙基)磷酸酯 is 453.00 g/mol.
Where can I buy 腺苷5'-(2-溴乙基)磷酸酯?
You can request a quote for 腺苷5'-(2-溴乙基)磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 腺苷5'-(2-溴乙基)磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 腺苷5'-(2-溴乙基)磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.