8-Benzyloxycaffeine
TL;DR: 8-Benzyloxycaffeine (CAS 6279-51-2) is a chemical compound with molecular formula C15H16N4O3 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-8-phenylmethoxypurine-2,6-dione
Also Known As: 8-Benzyloxycaffeine, ChemDiv2_004644, IDI1_003359, 1,3,7-trimethyl-8-phenylmethoxypurine-2,6-dione, 8-(Benzyloxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C15H16N4O3 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.12225 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 6279-51-2 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C |
| InChIKey | LSJWXGMOPMJCHP-UHFFFAOYSA-N |
Product Overview
8-Benzyloxycaffeine (CAS 6279-51-2), with molecular formula C15H16N4O3 and molecular weight 300.12 g/mol. IUPAC: 1,3,7-trimethyl-8-phenylmethoxypurine-2,6-dione.
Chemical Property Profile of 8-Benzyloxycaffeine
Property Insights of 8-Benzyloxycaffeine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzyloxycaffeine. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Benzyloxycaffeine. Following Lipinski's Rule of Five, 8-Benzyloxycaffeine has 0 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-Benzyloxycaffeine?
The CAS number of 8-Benzyloxycaffeine is 6279-51-2.
What is the molecular formula of 8-Benzyloxycaffeine?
The molecular formula of 8-Benzyloxycaffeine is C15H16N4O3.
What is the molecular weight of 8-Benzyloxycaffeine?
The molecular weight of 8-Benzyloxycaffeine is 300.12 g/mol.
Where can I buy 8-Benzyloxycaffeine?
You can request a quote for 8-Benzyloxycaffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Benzyloxycaffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzyloxycaffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.