胆茶碱
TL;DR: 胆茶碱 (CAS 4499-40-5) is a chemical compound with molecular formula C12H22N5O3+ and molecular weight 284.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胆茶碱
1,3-dimethyl-7H-purine-2,6-dione;2-hydroxyethyl(trimethyl)azanium
Also Known As: Cholinophylline, Oxtrimethylline, Cholinophyllin, Soliphylline, Teofilcolina
| Molecular Formula | C12H22N5O3+ |
|---|---|
| Molecular Weight | 284.17 g/mol |
| LogP | -1.35 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.17227 |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 4499-40-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO |
| InChIKey | RIKWPUSWRKPQAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胆茶碱 (CAS 4499-40-5), with molecular formula C12H22N5O3+ and molecular weight 284.17 g/mol. IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;2-hydroxyethyl(trimethyl)azanium.
Chemical Property Profile of 胆茶碱
Property Insights of 胆茶碱
The XLogP value of -1.35 indicates that 胆茶碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 胆茶碱. Following Lipinski's Rule of Five, 胆茶碱 has 2 hydrogen bond donor(s) and 4 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 胆茶碱?
The CAS number of 胆茶碱 is 4499-40-5.
What is the molecular formula of 胆茶碱?
The molecular formula of 胆茶碱 is C12H22N5O3+.
What is the molecular weight of 胆茶碱?
The molecular weight of 胆茶碱 is 284.17 g/mol.
Where can I buy 胆茶碱?
You can request a quote for 胆茶碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆茶碱?
Yes, KEHONG BIO provides custom synthesis services for 胆茶碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.