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Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate
TL;DR: Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate (CAS 102516-73-4) is a chemical compound with molecular formula C14H20N4O3 and molecular weight 292.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate
Also Known As: ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate, N-(p-(3,3-Dimethyltriazeno)benzoyl)-beta-alanine ethyl ester, beta-ALANINE, N-(p-(3,3-DIMETHYLTRIAZENO)BENZOYL)-, ETHYL ESTER, b-Alanine,N-[4-(3,3-dimethyl-1-triazenyl)benzoyl]-, ethyl ester (9CI), N-[4-(3,3-Dimethyl-1-triazeno)benzoyl]-beta-alanine ethyl ester
| Molecular Formula | C14H20N4O3 |
|---|---|
| Molecular Weight | 292.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 292.15353 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 102516-73-4 |
|---|---|
| SMILES | CCOC(=O)CCNC(=O)C1=CC=C(C=C1)N=NN(C)C |
| InChIKey | VFJPPDDTQXMZEK-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate (CAS 102516-73-4), with molecular formula C14H20N4O3 and molecular weight 292.15 g/mol. IUPAC: ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate.
Chemical Property Profile of Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate
Property Insights of Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate has 1 hydrogen bond donor(s) and 6 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 Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate?
The CAS number of Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate is 102516-73-4.
What is the molecular formula of Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate?
The molecular formula of Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate is C14H20N4O3.
What is the molecular weight of Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate?
The molecular weight of Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate is 292.15 g/mol.
Where can I buy Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate?
You can request a quote for Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.