Pencardin
TL;DR: Pencardin (CAS 80186-95-4) is a chemical compound with molecular formula C57H80ClN13O15 and molecular weight 1221.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)propane-1,3-diol;(1E)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;hydrochloride
Also Known As: Pencardin, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, mixt. with 2,2-bis(hydroxymethyl)-1,3-propanediol, 1-((3,4-diethoxyphenyl)methylene)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride and 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione compd. with 1,2-ethanediamine (2:1), 2,2-bis(hydroxymethyl)propane-1,3-diol; (1E)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline; 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione; hydrochloride, 2,2-bis(hydroxymethyl)propane-1,3-diol;(1E)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;hydrochloride
| Molecular Formula | C57H80ClN13O15 |
|---|---|
| Molecular Weight | 1221.56 g/mol |
| LogP | 0.8138 |
| Topological Polar Surface Area | 402.54 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Exact Mass | 1221.5586 |
| Heavy Atoms | 86 |
| Complexity | 3479.582 |
Chemical Identifiers
| CAS Number | 80186-95-4 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCOC1=C(C=C(C=C1)/C=C/2\C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N.C(C(CO)(CO)CO)O.Cl |
Product Overview
Pencardin (CAS 80186-95-4), with molecular formula C57H80ClN13O15 and molecular weight 1221.56 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;(1E)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;hydrochloride.
Chemical Property Profile of Pencardin
Property Insights of Pencardin
The XLogP value of 0.8138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pencardin. The TPSA of 402.54 Ų indicates high polarity, suggesting Pencardin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pencardin has 11 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pencardin?
The CAS number of Pencardin is 80186-95-4.
What is the molecular formula of Pencardin?
The molecular formula of Pencardin is C57H80ClN13O15.
What is the molecular weight of Pencardin?
The molecular weight of Pencardin is 1221.56 g/mol.
Where can I buy Pencardin?
You can request a quote for Pencardin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pencardin?
Yes, KEHONG BIO provides custom synthesis services for Pencardin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.