Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI)
TL;DR: Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI) (CAS 833446-00-7) is a chemical compound with molecular formula C20H21N5O7S and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-amino-8-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methyl acetate
Also Known As: Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI), [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-amino-8-thiophen-2-yl-purin-9-yl)oxolan-2-yl]methyl Acetate
| Molecular Formula | C20H21N5O7S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 1.4609 |
| Topological Polar Surface Area | 157.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.11618 |
| Heavy Atoms | 33 |
| Complexity | 1195.1027 |
Chemical Identifiers
| CAS Number | 833446-00-7 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=NC3=C(N=CN=C32)N)C4=CC=CS4)OC(=O)C)OC(=O)C |
Product Overview
Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI) (CAS 833446-00-7), with molecular formula C20H21N5O7S and molecular weight 475.12 g/mol. IUPAC: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-amino-8-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI)
Property Insights of Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI)
The XLogP value of 1.4609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI). The TPSA of 157.75 Ų indicates high polarity, suggesting Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI) has 1 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 Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI)?
The CAS number of Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI) is 833446-00-7.
What is the molecular formula of Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI)?
The molecular formula of Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI) is C20H21N5O7S.
What is the molecular weight of Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI)?
The molecular weight of Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI) is 475.12 g/mol.
Where can I buy Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI)?
You can request a quote for Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Adenosine, 8-(2-thienyl)-, 2',3',5'-triacetate (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.