Propyl 4-(dimethylamino)-4-oxobutanoate
TL;DR: Propyl 4-(dimethylamino)-4-oxobutanoate (CAS 845-80-7) 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.
propyl 4-(dimethylamino)-4-oxobutanoate
Also Known As: propyl 4-(dimethylamino)-4-oxobutanoate, Butanoic acid,4-(dimethylamino)-4-oxo-, propyl ester
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 845-80-7 |
|---|---|
| SMILES | CCCOC(=O)CCC(=O)N(C)C |
| InChIKey | NSVZGXOBRHRJCT-UHFFFAOYSA-N |
Product Overview
Propyl 4-(dimethylamino)-4-oxobutanoate (CAS 845-80-7), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: propyl 4-(dimethylamino)-4-oxobutanoate.
Chemical Property Profile of Propyl 4-(dimethylamino)-4-oxobutanoate
Property Insights of Propyl 4-(dimethylamino)-4-oxobutanoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 4-(dimethylamino)-4-oxobutanoate. With a topological polar surface area (TPSA) of 46.6 Ų, Propyl 4-(dimethylamino)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 4-(dimethylamino)-4-oxobutanoate has 0 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 Propyl 4-(dimethylamino)-4-oxobutanoate?
The CAS number of Propyl 4-(dimethylamino)-4-oxobutanoate is 845-80-7.
What is the molecular formula of Propyl 4-(dimethylamino)-4-oxobutanoate?
The molecular formula of Propyl 4-(dimethylamino)-4-oxobutanoate is C9H17NO3.
What is the molecular weight of Propyl 4-(dimethylamino)-4-oxobutanoate?
The molecular weight of Propyl 4-(dimethylamino)-4-oxobutanoate is 187.12 g/mol.
Where can I buy Propyl 4-(dimethylamino)-4-oxobutanoate?
You can request a quote for Propyl 4-(dimethylamino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-(dimethylamino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-(dimethylamino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.