O-Demethylpuromycin
TL;DR: O-Demethylpuromycin (CAS 3598-42-3) is a chemical compound with molecular formula C21H27N7O5 and molecular weight 457.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide
Also Known As: O-Demethylpuromycin, 6,7-Dimethyl-9-propyl-isoalloxazin, 3'-deoxy-N,N-dimethyl-3'-(L-tyrosinamido)adenosine, J2.118.871I, 3'-Deoxy-N,N-dimethyl-3'-(L-tyrosylamino)adenosine
| Molecular Formula | C21H27N7O5 |
|---|---|
| Molecular Weight | 457.21 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.20737 |
| Heavy Atoms | 33 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 3598-42-3 |
|---|---|
| SMILES | CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)O |
| InChIKey | NVZJDPXVSWFFJJ-YXDKPKCJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-Demethylpuromycin (CAS 3598-42-3), with molecular formula C21H27N7O5 and molecular weight 457.21 g/mol. IUPAC: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide.
Chemical Property Profile of O-Demethylpuromycin
Property Insights of O-Demethylpuromycin
The XLogP value of -0.3 indicates that O-Demethylpuromycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting O-Demethylpuromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-Demethylpuromycin has 5 hydrogen bond donor(s) and 10 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 O-Demethylpuromycin?
The CAS number of O-Demethylpuromycin is 3598-42-3.
What is the molecular formula of O-Demethylpuromycin?
The molecular formula of O-Demethylpuromycin is C21H27N7O5.
What is the molecular weight of O-Demethylpuromycin?
The molecular weight of O-Demethylpuromycin is 457.21 g/mol.
Where can I buy O-Demethylpuromycin?
You can request a quote for O-Demethylpuromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Demethylpuromycin?
Yes, KEHONG BIO provides custom synthesis services for O-Demethylpuromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.