![7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine structure](/static/products/848/848672-93-5.png)
7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine
TL;DR: 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine (CAS 848672-93-5) is a chemical compound with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione
Also Known As: 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine, 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione, 7-cinnamyl-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2-furanylmethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione, 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[(2E)-3-phenylprop-2-en-1-yl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H21N5O3 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.3522 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.16443 |
| Heavy Atoms | 29 |
| Complexity | 1278.093 |
Chemical Identifiers
| CAS Number | 848672-93-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)C/C=C/C4=CC=CC=C4 |
Product Overview
7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine (CAS 848672-93-5), with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol. IUPAC: 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione.
Chemical Property Profile of 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine
Property Insights of 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine
The XLogP value of 2.3522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine. Following Lipinski's Rule of Five, 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine has 1 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 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine?
The CAS number of 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine is 848672-93-5.
What is the molecular formula of 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine?
The molecular formula of 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine is C21H21N5O3.
What is the molecular weight of 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine?
The molecular weight of 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine is 391.16 g/mol.
Where can I buy 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine?
You can request a quote for 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine?
Yes, KEHONG BIO provides custom synthesis services for 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.