Pibutidine hydrochloride
TL;DR: Pibutidine hydrochloride (CAS 126469-10-1) is a chemical compound with molecular formula C19H25ClN4O3 and molecular weight 392.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione;hydrochloride
Also Known As: Pibutidine hydrochloride, Pibutidine, Alex, pibutidine HCl, pibutidine monohydrochloride
| Molecular Formula | C19H25ClN4O3 |
|---|---|
| Molecular Weight | 392.16 g/mol |
| LogP | 1.7146 |
| Topological Polar Surface Area | 97.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.16153 |
| Heavy Atoms | 27 |
| Complexity | 839.7473 |
Chemical Identifiers
| CAS Number | 126469-10-1 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC3=C(C(=O)C3=O)N.Cl |
Product Overview
Pibutidine hydrochloride (CAS 126469-10-1), with molecular formula C19H25ClN4O3 and molecular weight 392.16 g/mol. IUPAC: 3-amino-4-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione;hydrochloride.
Chemical Property Profile of Pibutidine hydrochloride
Property Insights of Pibutidine hydrochloride
The XLogP value of 1.7146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pibutidine hydrochloride. The TPSA of 97.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Pibutidine hydrochloride. Following Lipinski's Rule of Five, Pibutidine hydrochloride has 2 hydrogen bond donor(s) and 7 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 Pibutidine hydrochloride?
The CAS number of Pibutidine hydrochloride is 126469-10-1.
What is the molecular formula of Pibutidine hydrochloride?
The molecular formula of Pibutidine hydrochloride is C19H25ClN4O3.
What is the molecular weight of Pibutidine hydrochloride?
The molecular weight of Pibutidine hydrochloride is 392.16 g/mol.
Where can I buy Pibutidine hydrochloride?
You can request a quote for Pibutidine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pibutidine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pibutidine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.