diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate
TL;DR: diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate (CAS 51903-16-3) is a chemical compound with molecular formula C18H32N2O4 and molecular weight 340.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-[6-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]hexylamino]but-2-enoate
Also Known As: diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate, (2Z,2'Z)-diethyl 3,3'-(hexane-1,6-diylbis(azanediyl))bis(but-2-enoate), ethyl (Z)-3-[6-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]hexylamino]but-2-enoate
| Molecular Formula | C18H32N2O4 |
|---|---|
| Molecular Weight | 340.24 g/mol |
| LogP | 2.6598 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 340.2362 |
| Heavy Atoms | 24 |
| Complexity | 390.7347 |
Chemical Identifiers
| CAS Number | 51903-16-3 |
|---|---|
| SMILES | CCOC(=O)/C=C(\NCCCCCCN/C(=C\C(=O)OCC)/C)/C |
Product Overview
diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate (CAS 51903-16-3), with molecular formula C18H32N2O4 and molecular weight 340.24 g/mol. IUPAC: ethyl (Z)-3-[6-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]hexylamino]but-2-enoate.
Chemical Property Profile of diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate
Property Insights of diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate
The XLogP value of 2.6598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate. Following Lipinski's Rule of Five, diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-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 diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate?
The CAS number of diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate is 51903-16-3.
What is the molecular formula of diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate?
The molecular formula of diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate is C18H32N2O4.
What is the molecular weight of diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate?
The molecular weight of diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate is 340.24 g/mol.
Where can I buy diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate?
You can request a quote for diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for diethyl (2Z,2'Z)-3,3'-(hexane-1,6-diyldiimino)bisbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.