4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸
TL;DR: 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸 (CAS 89073-57-4) is a chemical compound with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸
4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid
Also Known As: 1,3-Dipropyl-8-p-sulfophenylxanthine, DPSPX, PSPX, 1,3-Dspx, Lopac-A-022
| Molecular Formula | C17H20N4O5S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.11545 |
| Heavy Atoms | 27 |
| Complexity | 671.0 |
| Solubility | >58.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 89073-57-4 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | IWALGNIFYOBRKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸 (CAS 89073-57-4), with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol. IUPAC: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid.
Chemical Property Profile of 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸
Property Insights of 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸
The XLogP value of 3.1 indicates that 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸. Following Lipinski's Rule of Five, 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸 has 2 hydrogen bond donor(s) and 6 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 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸?
The CAS number of 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸 is 89073-57-4.
What is the molecular formula of 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸?
The molecular formula of 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸 is C17H20N4O5S.
What is the molecular weight of 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸?
The molecular weight of 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸 is 392.12 g/mol.
Where can I buy 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸?
You can request a quote for 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.