1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride
TL;DR: 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride (CAS 36639-40-4) is a chemical compound with molecular formula C11H18ClNO2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)-2-(2-methylpropylamino)propan-1-one;hydrochloride
Also Known As: KST-1B3623, 1-(2-Furyl)-2-(isobutylamino)-1-propanone hydrochloride, (Furyl-2)(alpha-isobutylamino-ethyl)ketone hydrochloride, 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride, 1-(furan-2-yl)-2-[(2-methylpropyl)amino]propan-1-one hydrochloride(1:1)
| Molecular Formula | C11H18ClNO2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.5182 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.1026 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 36639-40-4 |
|---|---|
| SMILES | CC(C)CNC(C)C(=O)C1=CC=CO1.Cl |
| InChIKey | TWNAKBCHLVSBJH-UHFFFAOYSA-N |
Product Overview
1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride (CAS 36639-40-4), with molecular formula C11H18ClNO2 and molecular weight 231.10 g/mol. IUPAC: 1-(furan-2-yl)-2-(2-methylpropylamino)propan-1-one;hydrochloride.
Chemical Property Profile of 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride
Property Insights of 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride
The XLogP value of 2.5182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride. With a topological polar surface area (TPSA) of 42.2 Ų, 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride has 2 hydrogen bond donor(s) and 3 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 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride?
The CAS number of 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride is 36639-40-4.
What is the molecular formula of 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride?
The molecular formula of 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride is C11H18ClNO2.
What is the molecular weight of 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride?
The molecular weight of 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride is 231.10 g/mol.
Where can I buy 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride?
You can request a quote for 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-(2-furyl)-2-(isobutylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.