4-肼基-4-亚氨基丁酸乙酯
TL;DR: 4-肼基-4-亚氨基丁酸乙酯 (CAS 64058-66-8) is a chemical compound with molecular formula C6H13N3O2 and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-肼基-4-亚氨基丁酸乙酯
ethyl 4-amino-4-hydrazinylidenebutanoate
Also Known As: BUTANOIC ACID, 4-HYDRAZINO-4-IMINO-, ETHYL ESTER
| Molecular Formula | C6H13N3O2 |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.10077 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 64058-66-8 |
|---|---|
| SMILES | CCOC(=O)CCC(=NN)N |
| InChIKey | PWVRDXNFFGMCOP-UHFFFAOYSA-N |
Product Overview
4-肼基-4-亚氨基丁酸乙酯 (CAS 64058-66-8), with molecular formula C6H13N3O2 and molecular weight 159.10 g/mol. IUPAC: ethyl 4-amino-4-hydrazinylidenebutanoate.
Chemical Property Profile of 4-肼基-4-亚氨基丁酸乙酯
Property Insights of 4-肼基-4-亚氨基丁酸乙酯
The XLogP value of -0.8 indicates that 4-肼基-4-亚氨基丁酸乙酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-肼基-4-亚氨基丁酸乙酯. Following Lipinski's Rule of Five, 4-肼基-4-亚氨基丁酸乙酯 has 2 hydrogen bond donor(s) and 4 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-肼基-4-亚氨基丁酸乙酯?
The CAS number of 4-肼基-4-亚氨基丁酸乙酯 is 64058-66-8.
What is the molecular formula of 4-肼基-4-亚氨基丁酸乙酯?
The molecular formula of 4-肼基-4-亚氨基丁酸乙酯 is C6H13N3O2.
What is the molecular weight of 4-肼基-4-亚氨基丁酸乙酯?
The molecular weight of 4-肼基-4-亚氨基丁酸乙酯 is 159.10 g/mol.
Where can I buy 4-肼基-4-亚氨基丁酸乙酯?
You can request a quote for 4-肼基-4-亚氨基丁酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-肼基-4-亚氨基丁酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4-肼基-4-亚氨基丁酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.