monohydrochloride
TL;DR: monohydrochloride (CAS 151327-08-1) is a chemical compound with molecular formula C27H29ClN8O and molecular weight 516.2153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;hydrochloride
Also Known As: monohydrochloride, 2,2':5',2''-Terthiophene,3',4'-dihexyl, Pyrazolo(1,5-a)pyrimidine, 7-(4-morpholinyl)-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, monohydrochloride, 4-[5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;hydrochloride, 4-[5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine hydrochloride
Technical Specifications
| Molecular Formula | C27H29ClN8O |
| Molecular Weight | 516.2153 g/mol |
| XLogP | 4.3781 |
| Topological Polar Surface Area (TPSA) | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.2153 Da |
| Heavy Atoms | 37 |
| Complexity | 685.0 |
| SMILES | CCCC1=NC2=CC=NN2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N6CCOCC6.Cl |
| InChIKey | SHANMRKYHNXNML-UHFFFAOYSA-N |
Chemical Property Profile of monohydrochloride
Property Insights of monohydrochloride
The XLogP value of 4.3781 indicates that monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for monohydrochloride. Following Lipinski's Rule of Five, monohydrochloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of monohydrochloride?
The CAS number of monohydrochloride is 151327-08-1.
What is the molecular formula of monohydrochloride?
The molecular formula of monohydrochloride is C27H29ClN8O.
What is the molecular weight of monohydrochloride?
The molecular weight of monohydrochloride is 516.2153 g/mol.
Where can I buy monohydrochloride?
You can request a quote for monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for monohydrochloride?
Yes, CoreyChem provides custom synthesis services for monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.