4-Hydroxypenbutolol-4-sulfate
TL;DR: 4-Hydroxypenbutolol-4-sulfate (CAS 112160-86-8) is a chemical compound with molecular formula C18H29NO6S and molecular weight 387.17157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3-cyclopentylphenyl] hydrogen sulfate
Also Known As: 4-Hydroxypenbutolol-4-sulfate, 4'-HYDROXYPENBUTOLOL-4'-SULFATE, Phenol, 3-cyclopentyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, 1-(hydrogen sulfate), (S)-, [4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3-cyclopentylphenyl] hydrogen sulfate, 2-cyclopentyl-1-[(2S)-2-hydroxy-3-(tert-butylamino)propoxy]-4-sulfooxy-benzene
Technical Specifications
| Molecular Formula | C18H29NO6S |
| Molecular Weight | 387.17157 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 387.17157 Da |
| Heavy Atoms | 26 |
| Complexity | 521.0 |
| SMILES | CC(C)(C)NC[C@@H](COC1=C(C=C(C=C1)OS(=O)(=O)O)C2CCCC2)O |
| InChIKey | YGAFVZDVNJYOCT-AWEZNQCLSA-N |
Chemical Property Profile of 4-Hydroxypenbutolol-4-sulfate
Property Insights of 4-Hydroxypenbutolol-4-sulfate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxypenbutolol-4-sulfate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxypenbutolol-4-sulfate. Following Lipinski's Rule of Five, 4-Hydroxypenbutolol-4-sulfate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Hydroxypenbutolol-4-sulfate?
The CAS number of 4-Hydroxypenbutolol-4-sulfate is 112160-86-8.
What is the molecular formula of 4-Hydroxypenbutolol-4-sulfate?
The molecular formula of 4-Hydroxypenbutolol-4-sulfate is C18H29NO6S.
What is the molecular weight of 4-Hydroxypenbutolol-4-sulfate?
The molecular weight of 4-Hydroxypenbutolol-4-sulfate is 387.17157 g/mol.
Where can I buy 4-Hydroxypenbutolol-4-sulfate?
You can request a quote for 4-Hydroxypenbutolol-4-sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxypenbutolol-4-sulfate?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxypenbutolol-4-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.