1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one
TL;DR: 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one (CAS 187242-85-9) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one
Also Known As: 4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one, 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one, (E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one, 1,1-dimethoxy-4-dimethylaminobut-3-en-one, E-1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 0.2497 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 161.68591 |
Chemical Identifiers
| CAS Number | 187242-85-9 |
|---|---|
| SMILES | CN(C)C=CC(=O)C(OC)OC |
Product Overview
1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one (CAS 187242-85-9), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: 4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one.
Chemical Property Profile of 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one
Property Insights of 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one
The XLogP value of 0.2497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one. With a topological polar surface area (TPSA) of 38.77 Ų, 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one 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 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one?
The CAS number of 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one is 187242-85-9.
What is the molecular formula of 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one?
The molecular formula of 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one is C8H15NO3.
What is the molecular weight of 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one?
The molecular weight of 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one is 173.11 g/mol.
Where can I buy 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one?
You can request a quote for 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.