Azabuperone hydrochloride
TL;DR: Azabuperone hydrochloride (CAS 3162-75-2) is a chemical compound with molecular formula C17H25Cl2FN2O and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Also Known As: Azabutyrone, Azabuperone hydrochloride, 1-Butanone, 1-(4-fluorophenyl)-4-(hexahydropyrrolo(1,2-a)pyrazin-2(1H)-yl)-, dihydrochloride, Butyrophenone, 4'-fluoro-4-(hexahydropyrrolo(1,2-a)pyrazin-2(1H)-yl)-, dihydrochloride, 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one;dihydrochloride
| Molecular Formula | C17H25Cl2FN2O |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 3.41 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.13278 |
| Heavy Atoms | 23 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 3162-75-2 |
|---|---|
| SMILES | C1CC2CN(CCN2C1)CCCC(=O)C3=CC=C(C=C3)F.Cl.Cl |
| InChIKey | HXBNUKBXKYCOQW-UHFFFAOYSA-N |
Product Overview
Azabuperone hydrochloride (CAS 3162-75-2), with molecular formula C17H25Cl2FN2O and molecular weight 362.13 g/mol. IUPAC: 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one;dihydrochloride.
Chemical Property Profile of Azabuperone hydrochloride
Property Insights of Azabuperone hydrochloride
The XLogP value of 3.41 indicates that Azabuperone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, Azabuperone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azabuperone hydrochloride has 2 hydrogen bond donor(s) and 4 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 Azabuperone hydrochloride?
The CAS number of Azabuperone hydrochloride is 3162-75-2.
What is the molecular formula of Azabuperone hydrochloride?
The molecular formula of Azabuperone hydrochloride is C17H25Cl2FN2O.
What is the molecular weight of Azabuperone hydrochloride?
The molecular weight of Azabuperone hydrochloride is 362.13 g/mol.
Where can I buy Azabuperone hydrochloride?
You can request a quote for Azabuperone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azabuperone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Azabuperone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.