Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride
TL;DR: Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride (CAS 76663-47-3) is a chemical compound with molecular formula C12H24ClN3O4 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-(carbamoylcarbamoyl)-2-ethylbutanoate;hydrochloride
Also Known As: Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride, 2-dimethylaminoethyl 2-(carbamoylcarbamoyl)-2-ethyl-butanoate Hydrochloride, 2-dimethylaminoethyl 2-(carbamoylcarbamoyl)-2-ethylbutanoate hydrochloride, 2-(Dimethylamino)ethyl 2-(carbamoylcarbamoyl)-2-ethylbutanoate--hydrogen chloride (1/1)
| Molecular Formula | C12H24ClN3O4 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 0.5143 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.14554 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 76663-47-3 |
|---|---|
| SMILES | CCC(CC)(C(=O)NC(=O)N)C(=O)OCCN(C)C.Cl |
| InChIKey | VRGWCWDWFUAKLF-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride (CAS 76663-47-3), with molecular formula C12H24ClN3O4 and molecular weight 309.15 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-(carbamoylcarbamoyl)-2-ethylbutanoate;hydrochloride.
Chemical Property Profile of Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride
Property Insights of Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride
The XLogP value of 0.5143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride has 3 hydrogen bond donor(s) and 5 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 Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride?
The CAS number of Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride is 76663-47-3.
What is the molecular formula of Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride?
The molecular formula of Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride is C12H24ClN3O4.
What is the molecular weight of Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride?
The molecular weight of Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride is 309.15 g/mol.
Where can I buy Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride?
You can request a quote for Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(((aminocarbonyl)amino)carbonyl)-2-ethyl-,2-(dimethylamino)ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.