Pibutidine (hydrochloride)
TL;DR: Pibutidine (hydrochloride) (CAS 126463-66-9) is a chemical compound with molecular formula C19H27ClN4O3 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enylamino]cyclobutane-1,2-dione;hydrochloride
Also Known As: Pibutidine (hydrochloride), IT 066
| Molecular Formula | C19H27ClN4O3 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 0.8616 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.17715 |
| Heavy Atoms | 27 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 126463-66-9 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC3C(C(=O)C3=O)N.Cl |
| InChIKey | MLFPGXWTBSRGCK-UHFFFAOYSA-N |
Product Overview
Pibutidine (hydrochloride) (CAS 126463-66-9), with molecular formula C19H27ClN4O3 and molecular weight 394.18 g/mol. IUPAC: 3-amino-4-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enylamino]cyclobutane-1,2-dione;hydrochloride.
Chemical Property Profile of Pibutidine (hydrochloride)
Property Insights of Pibutidine (hydrochloride)
The XLogP value of 0.8616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pibutidine (hydrochloride). The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pibutidine (hydrochloride). Following Lipinski's Rule of Five, Pibutidine (hydrochloride) 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
Frequently Asked Questions
What is the CAS number of Pibutidine (hydrochloride)?
The CAS number of Pibutidine (hydrochloride) is 126463-66-9.
What is the molecular formula of Pibutidine (hydrochloride)?
The molecular formula of Pibutidine (hydrochloride) is C19H27ClN4O3.
What is the molecular weight of Pibutidine (hydrochloride)?
The molecular weight of Pibutidine (hydrochloride) is 394.18 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.