Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)
TL;DR: Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) (CAS 63869-95-4) is a chemical compound with molecular formula C9H20BrNO2 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-(4-methoxy-4-oxobutyl)azanium bromide
Also Known As: Methyl-gamma-diethylaminobutyrate hydrobromide, diethyl-(4-methoxy-4-oxobutyl)azanium bromide, diethyl-(4-methoxy-4-oxobutyl)azanium,bromide, BUTYRIC ACID, 4-(DIETHYLAMINO)-, METHYL ESTER, HYDROBROMIDE, N,N-diethyl-4-methoxy-4-oxobutan-1-aminium bromide
| Molecular Formula | C9H20BrNO2 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | -3.13 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.06773 |
| Heavy Atoms | 13 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 63869-95-4 |
|---|---|
| SMILES | CC[NH+](CC)CCCC(=O)OC.[Br-] |
| InChIKey | GRRJOIIJBGENPL-UHFFFAOYSA-N |
Product Overview
Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) (CAS 63869-95-4), with molecular formula C9H20BrNO2 and molecular weight 253.07 g/mol. IUPAC: diethyl-(4-methoxy-4-oxobutyl)azanium bromide.
Chemical Property Profile of Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)
Property Insights of Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)
The XLogP value of -3.13 indicates that Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) has 1 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 Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)?
The CAS number of Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) is 63869-95-4.
What is the molecular formula of Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)?
The molecular formula of Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) is C9H20BrNO2.
What is the molecular weight of Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)?
The molecular weight of Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) is 253.07 g/mol.
Where can I buy Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)?
You can request a quote for Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.