but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid
TL;DR: but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid (CAS 31114-55-3) is a chemical compound with molecular formula C11H13NO6 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid
Also Known As: (C7-H7-N-O4.C4-H6-O2)x-, 2-Butenedioic acid (2Z)-, mono(2-cyanoethyl) ester, polymer with ethenyl acetate, 2-Butenedioic acid (Z)-, mono(2-cyanoethyl) ester, polymer with ethenyl acetate, but-3-enoic acid; (Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid, Ethenyl acetate, polymer with mono(2-cyanoethyl) (Z)-2-butenedioate
| Molecular Formula | C11H13NO6 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 0.73118 |
| Topological Polar Surface Area | 124.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.07428 |
| Heavy Atoms | 18 |
| Complexity | 366.21994 |
Chemical Identifiers
| CAS Number | 31114-55-3 |
|---|---|
| SMILES | C=CCC(=O)O.C(COC(=O)/C=C\C(=O)O)C#N |
Product Overview
but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid (CAS 31114-55-3), with molecular formula C11H13NO6 and molecular weight 255.07 g/mol. IUPAC: but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid.
Chemical Property Profile of but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid
Property Insights of but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid
The XLogP value of 0.73118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid. The TPSA of 124.69 Ų falls within the moderate polarity range, balancing permeability and solubility for but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid has 2 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 but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid?
The CAS number of but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid is 31114-55-3.
What is the molecular formula of but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid?
The molecular formula of but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid is C11H13NO6.
What is the molecular weight of but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid?
The molecular weight of but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid is 255.07 g/mol.
Where can I buy but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid?
You can request a quote for but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for but-3-enoic acid;(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.