3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride
TL;DR: 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride (CAS 88364-08-3) is a chemical compound with molecular formula C13H22ClNO and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(propylaminomethyl)-3,4,5,6-tetrahydro-2H-pentalen-1-one;hydrochloride
Also Known As: 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride, 1(2H)-Pentalenone, 3,4,5,6-tetrahydro-3-methyl-2-((propylamino)methyl)-, hydrochloride, 3-methyl-2-(propylaminomethyl)-3,4,5,6-tetrahydro-2H-pentalen-1-one hydrochloride, 3-Methyl-2-[(propylamino)methyl]-3,4,5,6-tetrahydropentalen-1(2H)-one--hydrogen chloride (1/1), RefChem:211542
| Molecular Formula | C13H22ClNO |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 2.7233 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.13899 |
| Heavy Atoms | 16 |
| Complexity | 298.3077 |
Chemical Identifiers
| CAS Number | 88364-08-3 |
|---|---|
| SMILES | CCCNCC1C(C2=C(C1=O)CCC2)C.Cl |
Product Overview
3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride (CAS 88364-08-3), with molecular formula C13H22ClNO and molecular weight 243.14 g/mol. IUPAC: 3-methyl-2-(propylaminomethyl)-3,4,5,6-tetrahydro-2H-pentalen-1-one;hydrochloride.
Chemical Property Profile of 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride
Property Insights of 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride
The XLogP value of 2.7233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride has 1 hydrogen bond donor(s) and 2 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 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride?
The CAS number of 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride is 88364-08-3.
What is the molecular formula of 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride?
The molecular formula of 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride is C13H22ClNO.
What is the molecular weight of 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride?
The molecular weight of 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride is 243.14 g/mol.
Where can I buy 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride?
You can request a quote for 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-((propylamino)methyl)-3,4,5,6-tetrahydro-1(2H)-pentalenone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.