3-(dimethylamino)-1(2H)-pentalenone
TL;DR: 3-(dimethylamino)-1(2H)-pentalenone (CAS 14749-79-2) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2H-pentalen-1-one
Also Known As: 3-dimethylamino-2H-pentalen-1-one, 3-(dimethylamino)-1(2H)-pentalenone, 3-(dimethylamino)-1,2-dihydropentalen-1-one, 3-(dimethylamino)-2H-pentalen-1-one
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.2711 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 331.74774 |
Chemical Identifiers
| CAS Number | 14749-79-2 |
|---|---|
| SMILES | CN(C)C1=C2C=CC=C2C(=O)C1 |
Product Overview
3-(dimethylamino)-1(2H)-pentalenone (CAS 14749-79-2), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 3-(dimethylamino)-2H-pentalen-1-one.
Chemical Property Profile of 3-(dimethylamino)-1(2H)-pentalenone
Property Insights of 3-(dimethylamino)-1(2H)-pentalenone
The XLogP value of 1.2711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(dimethylamino)-1(2H)-pentalenone. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(dimethylamino)-1(2H)-pentalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(dimethylamino)-1(2H)-pentalenone has 0 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-(dimethylamino)-1(2H)-pentalenone?
The CAS number of 3-(dimethylamino)-1(2H)-pentalenone is 14749-79-2.
What is the molecular formula of 3-(dimethylamino)-1(2H)-pentalenone?
The molecular formula of 3-(dimethylamino)-1(2H)-pentalenone is C10H11NO.
What is the molecular weight of 3-(dimethylamino)-1(2H)-pentalenone?
The molecular weight of 3-(dimethylamino)-1(2H)-pentalenone is 161.08 g/mol.
Where can I buy 3-(dimethylamino)-1(2H)-pentalenone?
You can request a quote for 3-(dimethylamino)-1(2H)-pentalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(dimethylamino)-1(2H)-pentalenone?
Yes, KEHONG BIO provides custom synthesis services for 3-(dimethylamino)-1(2H)-pentalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.