5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine
TL;DR: 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine (CAS 15147-64-5) is a chemical compound with molecular formula C19H23N7O5S and molecular weight 461.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-2-(2-aminoethylsulfanylmethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Also Known As: Saenta, 5'-S-(2-Aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine, 5'-s-(2-aminoethyl)-n-(4-nitrobenzyl)-5'-thioadenosine, (2S,3S,4R,5R)-2-(2-aminoethylsulfanylmethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolane-3,4-diol, 5'-s-(2-aminoethyl)-6-n-(4-nitrobenzyl)-5'-thioadenosine
| Molecular Formula | C19H23N7O5S |
|---|---|
| Molecular Weight | 461.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.14813 |
| Heavy Atoms | 32 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 15147-64-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCCN)O)O)[N+](=O)[O-] |
| InChIKey | OAFPVFZXWPVEBS-NVQRDWNXSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine (CAS 15147-64-5), with molecular formula C19H23N7O5S and molecular weight 461.15 g/mol. IUPAC: (2S,3S,4R,5R)-2-(2-aminoethylsulfanylmethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine
Property Insights of 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine. The TPSA of 202.0 Ų indicates high polarity, suggesting 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine 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 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine?
The CAS number of 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine is 15147-64-5.
What is the molecular formula of 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine?
The molecular formula of 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine is C19H23N7O5S.
What is the molecular weight of 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine?
The molecular weight of 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine is 461.15 g/mol.
Where can I buy 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine?
You can request a quote for 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine?
Yes, KEHONG BIO provides custom synthesis services for 5'-S-(2-aminoethyl)-N(6)-(4-nitrobenzyl)-5'-thioadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.