XANTHINE,3-ALLYL-1-ETHYL
TL;DR: XANTHINE,3-ALLYL-1-ETHYL (CAS 652167-83-4) is a chemical compound with molecular formula C25H27ClN6O2 and molecular weight 478.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: XANTHINE,3-ALLYL-1-ETHYL, AB01281693-01, 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione, 8-(4-(3-chlorophenyl)piperazin-1-yl)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, F1699-0004
| Molecular Formula | C25H27ClN6O2 |
|---|---|
| Molecular Weight | 478.19 g/mol |
| LogP | 2.77042 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.18842 |
| Heavy Atoms | 34 |
| Complexity | 1493.8011 |
Chemical Identifiers
| CAS Number | 652167-83-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C5=CC(=CC=C5)Cl)N(C(=O)N(C3=O)C)C |
Product Overview
XANTHINE,3-ALLYL-1-ETHYL (CAS 652167-83-4), with molecular formula C25H27ClN6O2 and molecular weight 478.19 g/mol. IUPAC: 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of XANTHINE,3-ALLYL-1-ETHYL
Property Insights of XANTHINE,3-ALLYL-1-ETHYL
The XLogP value of 2.77042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for XANTHINE,3-ALLYL-1-ETHYL. 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 652167-83-4.
What is the molecular formula of XANTHINE,3-ALLYL-1-ETHYL?
The molecular formula of XANTHINE,3-ALLYL-1-ETHYL is C25H27ClN6O2.
What is the molecular weight of XANTHINE,3-ALLYL-1-ETHYL?
The molecular weight of XANTHINE,3-ALLYL-1-ETHYL is 478.19 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.