Arginine theophyllinate
TL;DR: Arginine theophyllinate (CAS 84332-00-3) is a chemical compound with molecular formula C13H22N8O4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-dimethyl-7H-purine-2,6-dione
Also Known As: Arginine theophyllinate, Theophylline mixture with arginine, methyl 4-methoxypyrimidine-5-carboxylate, L-Arginine, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1), (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid,1,3-dimethyl-7H-purine-2,6-dione
| Molecular Formula | C13H22N8O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | -2.5878 |
| Topological Polar Surface Area | 200.4 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.1764 |
| Heavy Atoms | 25 |
| Complexity | 874.26184 |
Chemical Identifiers
| CAS Number | 84332-00-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(C[C@@H](C(=O)O)N)CN=C(N)N |
Product Overview
Arginine theophyllinate (CAS 84332-00-3), with molecular formula C13H22N8O4 and molecular weight 354.18 g/mol. IUPAC: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of Arginine theophyllinate
Property Insights of Arginine theophyllinate
The XLogP value of -2.5878 indicates that Arginine theophyllinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.4 Ų indicates high polarity, suggesting Arginine theophyllinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arginine theophyllinate has 5 hydrogen bond donor(s) and 6 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 Arginine theophyllinate?
The CAS number of Arginine theophyllinate is 84332-00-3.
What is the molecular formula of Arginine theophyllinate?
The molecular formula of Arginine theophyllinate is C13H22N8O4.
What is the molecular weight of Arginine theophyllinate?
The molecular weight of Arginine theophyllinate is 354.18 g/mol.
Where can I buy Arginine theophyllinate?
You can request a quote for Arginine theophyllinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arginine theophyllinate?
Yes, KEHONG BIO provides custom synthesis services for Arginine theophyllinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.