SP 1131
TL;DR: SP 1131 (CAS 19971-93-8) is a chemical compound with molecular formula C21H27ClN6O3 and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: SP 1131, 5-26-14-00058 (Beilstein Handbook Reference), Theophylline, 7-(3-(4-(p-chlorobenzyl)-1-piperazinyl)-2-hydroxypropyl)-, 7-(3-(4-((4-Chlorophenyl)methyl)-1-piperazinyl)-2-hydroxypropyl)-3,7-di hydro-1,3-dimethyl-1H-purine-2,6-dione, 1-Piperazineethanol, 4-(p-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthinylmethyl)-
| Molecular Formula | C21H27ClN6O3 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.18332 |
| Heavy Atoms | 31 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 19971-93-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC4=CC=C(C=C4)Cl)O |
| InChIKey | ZHWPLLHVEZKHQL-UHFFFAOYSA-N |
Product Overview
SP 1131 (CAS 19971-93-8), with molecular formula C21H27ClN6O3 and molecular weight 446.18 g/mol. IUPAC: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of SP 1131
Property Insights of SP 1131
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SP 1131. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for SP 1131. Following Lipinski's Rule of Five, SP 1131 has 1 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 SP 1131?
The CAS number of SP 1131 is 19971-93-8.
What is the molecular formula of SP 1131?
The molecular formula of SP 1131 is C21H27ClN6O3.
What is the molecular weight of SP 1131?
The molecular weight of SP 1131 is 446.18 g/mol.
Where can I buy SP 1131?
You can request a quote for SP 1131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SP 1131?
Yes, KEHONG BIO provides custom synthesis services for SP 1131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.