1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-
TL;DR: 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy- (CAS 106157-94-2) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)-4,4-dimethoxypent-1-en-3-one
Also Known As: 1-(dimethylamino)-4,4-dimethoxypent-1-en-3-one, 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-, 1-Dimethylamino-4,4-dimethoxypent-1-en-3-one, (E)-1-Dimethylamino-4,4-dimethoxy-pent-1-en-3-one, 1-dimethylamino-4,4-dimethoxy-1-penten-3-one
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 106157-94-2 |
|---|---|
| SMILES | CC(C(=O)C=CN(C)C)(OC)OC |
| InChIKey | OVRSIQWVIJSERH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy- (CAS 106157-94-2), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: 1-(dimethylamino)-4,4-dimethoxypent-1-en-3-one.
Chemical Property Profile of 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-
Property Insights of 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-. With a topological polar surface area (TPSA) of 38.8 Ų, 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy- has 0 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 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-?
The CAS number of 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy- is 106157-94-2.
What is the molecular formula of 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-?
The molecular formula of 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy- is C9H17NO3.
What is the molecular weight of 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-?
The molecular weight of 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy- is 187.12 g/mol.
Where can I buy 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-?
You can request a quote for 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-one, 1-(dimethylamino)-4,4-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.