1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine
TL;DR: 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine (CAS 85872-51-1) is a chemical compound with molecular formula C17H20ClN5O2 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione
Also Known As: PACPX, PAPCX, 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine, PDSP1_000993, PDSP1_001136
| Molecular Formula | C17H20ClN5O2 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.13055 |
| Heavy Atoms | 25 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 85872-51-1 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(C=C(C=C3)Cl)N |
| InChIKey | SENJBFBVCXOUFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine (CAS 85872-51-1), with molecular formula C17H20ClN5O2 and molecular weight 361.13 g/mol. IUPAC: 8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine
Property Insights of 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine
The XLogP value of 4.0 indicates that 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine. Following Lipinski's Rule of Five, 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine has 2 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 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine?
The CAS number of 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine is 85872-51-1.
What is the molecular formula of 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine?
The molecular formula of 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine is C17H20ClN5O2.
What is the molecular weight of 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine?
The molecular weight of 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine is 361.13 g/mol.
Where can I buy 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine?
You can request a quote for 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.