8-(3-Methoxybenzyloxy)caffeine
TL;DR: 8-(3-Methoxybenzyloxy)caffeine (CAS 371944-58-0) is a chemical compound with molecular formula C16H18N4O4 and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(3-methoxyphenyl)methoxy]-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(3-Methoxybenzyloxy)caffeine, 8-((3-methoxybenzyl)oxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(3-methoxyphenyl)methoxy]-1,3,7-trimethylpurine-2,6-dione, 8-((3-methoxyphenyl)methoxy)-1,3,7-trimethyl-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-[(3-methoxyphenyl)methoxy]-1,3,7-trimethyl-
| Molecular Formula | C16H18N4O4 |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.1328 |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 371944-58-0 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CC(=CC=C3)OC)N(C(=O)N(C2=O)C)C |
| InChIKey | SDEMBXFOALFRQD-UHFFFAOYSA-N |
Product Overview
8-(3-Methoxybenzyloxy)caffeine (CAS 371944-58-0), with molecular formula C16H18N4O4 and molecular weight 330.13 g/mol. IUPAC: 8-[(3-methoxyphenyl)methoxy]-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(3-Methoxybenzyloxy)caffeine
Property Insights of 8-(3-Methoxybenzyloxy)caffeine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3-Methoxybenzyloxy)caffeine. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3-Methoxybenzyloxy)caffeine. Following Lipinski's Rule of Five, 8-(3-Methoxybenzyloxy)caffeine 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 8-(3-Methoxybenzyloxy)caffeine?
The CAS number of 8-(3-Methoxybenzyloxy)caffeine is 371944-58-0.
What is the molecular formula of 8-(3-Methoxybenzyloxy)caffeine?
The molecular formula of 8-(3-Methoxybenzyloxy)caffeine is C16H18N4O4.
What is the molecular weight of 8-(3-Methoxybenzyloxy)caffeine?
The molecular weight of 8-(3-Methoxybenzyloxy)caffeine is 330.13 g/mol.
Where can I buy 8-(3-Methoxybenzyloxy)caffeine?
You can request a quote for 8-(3-Methoxybenzyloxy)caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3-Methoxybenzyloxy)caffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-Methoxybenzyloxy)caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.