Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-
TL;DR: Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- (CAS 57004-05-4) is a chemical compound with molecular formula C12H15ClN6O4 and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(6-amino-2-chloropurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetamide
Also Known As: Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-, 2-Chloro-9-{3-deoxy-3-[(1-hydroxyethylidene)amino]pentofuranosyl}-9H-purin-6-amine, N-[5-(6-amino-2-chloropurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetamide
| Molecular Formula | C12H15ClN6O4 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.08432 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 57004-05-4 |
|---|---|
| SMILES | CC(=O)NC1C(OC(C1O)N2C=NC3=C(N=C(N=C32)Cl)N)CO |
| InChIKey | NXXXRHZZMWRVAE-UHFFFAOYSA-N |
Product Overview
Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- (CAS 57004-05-4), with molecular formula C12H15ClN6O4 and molecular weight 342.08 g/mol. IUPAC: N-[5-(6-amino-2-chloropurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetamide.
Chemical Property Profile of Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-
Property Insights of Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-
The XLogP value of -0.1 indicates that Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- has 4 hydrogen bond donor(s) and 8 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 Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-?
The CAS number of Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- is 57004-05-4.
What is the molecular formula of Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-?
The molecular formula of Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- is C12H15ClN6O4.
What is the molecular weight of Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-?
The molecular weight of Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- is 342.08 g/mol.
Where can I buy Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-?
You can request a quote for Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-?
Yes, KEHONG BIO provides custom synthesis services for Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.