N-(Purin-6-ylcarbamoyl)threonine
TL;DR: N-(Purin-6-ylcarbamoyl)threonine (CAS 33422-66-1) is a chemical compound with molecular formula C10H12N6O4 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-hydroxy-2-(7H-purin-6-ylcarbamoylamino)butanoic acid
Also Known As: TC(6)Ade, N-(Purin-6-ylcarbamoyl)threonine, N(6)-(N-Threonylcarbonyl)adenine, Threonine, N-(purin-6-ylcarbamoyl)-, L-, N-(Purin-6-ylcarbamoyl)-L-threonine
| Molecular Formula | C10H12N6O4 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.092 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 33422-66-1 |
|---|---|
| SMILES | CC([C@@H](C(=O)O)NC(=O)NC1=NC=NC2=C1NC=N2)O |
| InChIKey | LRLURXLUACWPAF-AKGZTFGVSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Purin-6-ylcarbamoyl)threonine (CAS 33422-66-1), with molecular formula C10H12N6O4 and molecular weight 280.09 g/mol. IUPAC: (2S)-3-hydroxy-2-(7H-purin-6-ylcarbamoylamino)butanoic acid.
Chemical Property Profile of N-(Purin-6-ylcarbamoyl)threonine
Property Insights of N-(Purin-6-ylcarbamoyl)threonine
The XLogP value of -1.2 indicates that N-(Purin-6-ylcarbamoyl)threonine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting N-(Purin-6-ylcarbamoyl)threonine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Purin-6-ylcarbamoyl)threonine has 5 hydrogen bond donor(s) and 7 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 N-(Purin-6-ylcarbamoyl)threonine?
The CAS number of N-(Purin-6-ylcarbamoyl)threonine is 33422-66-1.
What is the molecular formula of N-(Purin-6-ylcarbamoyl)threonine?
The molecular formula of N-(Purin-6-ylcarbamoyl)threonine is C10H12N6O4.
What is the molecular weight of N-(Purin-6-ylcarbamoyl)threonine?
The molecular weight of N-(Purin-6-ylcarbamoyl)threonine is 280.09 g/mol.
Where can I buy N-(Purin-6-ylcarbamoyl)threonine?
You can request a quote for N-(Purin-6-ylcarbamoyl)threonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Purin-6-ylcarbamoyl)threonine?
Yes, KEHONG BIO provides custom synthesis services for N-(Purin-6-ylcarbamoyl)threonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.