1,2-Ethanediyl bis(3-aminobut-2-enoate)
TL;DR: 1,2-Ethanediyl bis(3-aminobut-2-enoate) (CAS 14205-40-4) is a chemical compound with molecular formula C10H16N2O4 and molecular weight 228.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-aminobut-2-enoyloxy)ethyl 3-aminobut-2-enoate
Also Known As: 1,2-Ethanediyl bis(3-aminobut-2-enoate), Ethane-1,2-diyl bis(3-aminobut-2-enoate), 2-(3-aminobut-2-enoyloxy)ethyl 3-aminobut-2-enoate, (2Z,2'Z)-ethane-1,2-diyl bis(3-aminobut-2-enoate), 2-Butenoic acid,3-amino-, 1,2-ethanediyl ester (9CI)
| Molecular Formula | C10H16N2O4 |
|---|---|
| Molecular Weight | 228.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.11101 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 14205-40-4 |
|---|---|
| SMILES | CC(=CC(=O)OCCOC(=O)C=C(C)N)N |
| InChIKey | XKZRFLCEABGXJI-UHFFFAOYSA-N |
Product Overview
1,2-Ethanediyl bis(3-aminobut-2-enoate) (CAS 14205-40-4), with molecular formula C10H16N2O4 and molecular weight 228.11 g/mol. IUPAC: 2-(3-aminobut-2-enoyloxy)ethyl 3-aminobut-2-enoate.
Chemical Property Profile of 1,2-Ethanediyl bis(3-aminobut-2-enoate)
Property Insights of 1,2-Ethanediyl bis(3-aminobut-2-enoate)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediyl bis(3-aminobut-2-enoate). The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Ethanediyl bis(3-aminobut-2-enoate). Following Lipinski's Rule of Five, 1,2-Ethanediyl bis(3-aminobut-2-enoate) has 2 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 1,2-Ethanediyl bis(3-aminobut-2-enoate)?
The CAS number of 1,2-Ethanediyl bis(3-aminobut-2-enoate) is 14205-40-4.
What is the molecular formula of 1,2-Ethanediyl bis(3-aminobut-2-enoate)?
The molecular formula of 1,2-Ethanediyl bis(3-aminobut-2-enoate) is C10H16N2O4.
What is the molecular weight of 1,2-Ethanediyl bis(3-aminobut-2-enoate)?
The molecular weight of 1,2-Ethanediyl bis(3-aminobut-2-enoate) is 228.11 g/mol.
Where can I buy 1,2-Ethanediyl bis(3-aminobut-2-enoate)?
You can request a quote for 1,2-Ethanediyl bis(3-aminobut-2-enoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediyl bis(3-aminobut-2-enoate)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediyl bis(3-aminobut-2-enoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.