4-(Diethylcarbamoyl)butanoic acid
TL;DR: 4-(Diethylcarbamoyl)butanoic acid (CAS 30436-23-8) 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.
5-(diethylamino)-5-oxopentanoic acid
Also Known As: 4-(diethylcarbamoyl)butanoic Acid, 5-(diethylamino)-5-oxopentanoic acid, 4-diethylcarbamoyl-butyric acid, 4-(diethylcarbamoyl)butanoicAcid, Pentanoic acid, 5-(diethylamino)-5-oxo-
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 1.1097 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 175.69862 |
Chemical Identifiers
| CAS Number | 30436-23-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CCCC(=O)O |
Product Overview
4-(Diethylcarbamoyl)butanoic acid (CAS 30436-23-8), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: 5-(diethylamino)-5-oxopentanoic acid.
Chemical Property Profile of 4-(Diethylcarbamoyl)butanoic acid
Property Insights of 4-(Diethylcarbamoyl)butanoic acid
The XLogP value of 1.1097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethylcarbamoyl)butanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 4-(Diethylcarbamoyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylcarbamoyl)butanoic acid has 1 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 4-(Diethylcarbamoyl)butanoic acid?
The CAS number of 4-(Diethylcarbamoyl)butanoic acid is 30436-23-8.
What is the molecular formula of 4-(Diethylcarbamoyl)butanoic acid?
The molecular formula of 4-(Diethylcarbamoyl)butanoic acid is C9H17NO3.
What is the molecular weight of 4-(Diethylcarbamoyl)butanoic acid?
The molecular weight of 4-(Diethylcarbamoyl)butanoic acid is 187.12 g/mol.
Where can I buy 4-(Diethylcarbamoyl)butanoic acid?
You can request a quote for 4-(Diethylcarbamoyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diethylcarbamoyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylcarbamoyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.