Caffeine, 8-morpholino-
TL;DR: Caffeine, 8-morpholino- (CAS 30958-52-2) is a chemical compound with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: 8-Morpholino-caffeine, 8-Morpholinocaffeine, CAFFEINE, 8-MORPHOLINO-, Guarana Seed P.E., 8-(morpholin-4-yl)quinoline-5,6-dione
| Molecular Formula | C12H17N5O3 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.13315 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 30958-52-2 |
|---|---|
| SMILES | CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)C)C |
| InChIKey | LZQBJEYAJKIENE-UHFFFAOYSA-N |
Product Overview
Caffeine, 8-morpholino- (CAS 30958-52-2), with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol. IUPAC: 1,3,7-trimethyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of Caffeine, 8-morpholino-
Property Insights of Caffeine, 8-morpholino-
The XLogP value of -0.3 indicates that Caffeine, 8-morpholino- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Caffeine, 8-morpholino-. Following Lipinski's Rule of Five, Caffeine, 8-morpholino- has 0 hydrogen bond donor(s) and 5 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 Caffeine, 8-morpholino-?
The CAS number of Caffeine, 8-morpholino- is 30958-52-2.
What is the molecular formula of Caffeine, 8-morpholino-?
The molecular formula of Caffeine, 8-morpholino- is C12H17N5O3.
What is the molecular weight of Caffeine, 8-morpholino-?
The molecular weight of Caffeine, 8-morpholino- is 279.13 g/mol.
Where can I buy Caffeine, 8-morpholino-?
You can request a quote for Caffeine, 8-morpholino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caffeine, 8-morpholino-?
Yes, KEHONG BIO provides custom synthesis services for Caffeine, 8-morpholino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.