XANTHINE,3-ALLYL-1-ETHYL
TL;DR: XANTHINE,3-ALLYL-1-ETHYL (CAS 652168-04-2) is a chemical compound with molecular formula C24H24Cl2N6O2 and molecular weight 498.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
Also Known As: XANTHINE,3-ALLYL-1-ETHYL, 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F1614-0292, 7-[(2-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C24H24Cl2N6O2 |
|---|---|
| Molecular Weight | 498.13 g/mol |
| LogP | 3.1154 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.1338 |
| Heavy Atoms | 34 |
| Complexity | 1497.8585 |
Chemical Identifiers
| CAS Number | 652168-04-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CC5=CC=CC=C5Cl |
Product Overview
XANTHINE,3-ALLYL-1-ETHYL (CAS 652168-04-2), with molecular formula C24H24Cl2N6O2 and molecular weight 498.13 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of XANTHINE,3-ALLYL-1-ETHYL
Property Insights of XANTHINE,3-ALLYL-1-ETHYL
The XLogP value of 3.1154 indicates that XANTHINE,3-ALLYL-1-ETHYL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for XANTHINE,3-ALLYL-1-ETHYL. Following Lipinski's Rule of Five, XANTHINE,3-ALLYL-1-ETHYL 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 XANTHINE,3-ALLYL-1-ETHYL?
The CAS number of XANTHINE,3-ALLYL-1-ETHYL is 652168-04-2.
What is the molecular formula of XANTHINE,3-ALLYL-1-ETHYL?
The molecular formula of XANTHINE,3-ALLYL-1-ETHYL is C24H24Cl2N6O2.
What is the molecular weight of XANTHINE,3-ALLYL-1-ETHYL?
The molecular weight of XANTHINE,3-ALLYL-1-ETHYL is 498.13 g/mol.
Where can I buy XANTHINE,3-ALLYL-1-ETHYL?
You can request a quote for XANTHINE,3-ALLYL-1-ETHYL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for XANTHINE,3-ALLYL-1-ETHYL?
Yes, KEHONG BIO provides custom synthesis services for XANTHINE,3-ALLYL-1-ETHYL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.