8-Caffeine-propionamide
TL;DR: 8-Caffeine-propionamide (CAS 22305-69-7) is a chemical compound with molecular formula C10H13N5O3 and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanamide
Also Known As: 8-Caffeine-propionamide, 3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanamide, 3,7-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purine-8-propionamide, 7H-Purine-8-propionamide, 1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxo-, 3-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanamide
| Molecular Formula | C10H13N5O3 |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.10184 |
| Heavy Atoms | 18 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 22305-69-7 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)NC(=O)N2C)CCC(=O)N |
| InChIKey | LIPFWXYWOVZXQC-UHFFFAOYSA-N |
Product Overview
8-Caffeine-propionamide (CAS 22305-69-7), with molecular formula C10H13N5O3 and molecular weight 251.10 g/mol. IUPAC: 3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanamide.
Chemical Property Profile of 8-Caffeine-propionamide
Property Insights of 8-Caffeine-propionamide
The XLogP value of -1.5 indicates that 8-Caffeine-propionamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Caffeine-propionamide. Following Lipinski's Rule of Five, 8-Caffeine-propionamide 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 8-Caffeine-propionamide?
The CAS number of 8-Caffeine-propionamide is 22305-69-7.
What is the molecular formula of 8-Caffeine-propionamide?
The molecular formula of 8-Caffeine-propionamide is C10H13N5O3.
What is the molecular weight of 8-Caffeine-propionamide?
The molecular weight of 8-Caffeine-propionamide is 251.10 g/mol.
Where can I buy 8-Caffeine-propionamide?
You can request a quote for 8-Caffeine-propionamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Caffeine-propionamide?
Yes, KEHONG BIO provides custom synthesis services for 8-Caffeine-propionamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.