2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester
TL;DR: 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester (CAS 44981-48-8) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-prop-2-enoxybut-2-enoic acid
Also Known As: Allyl hydrogen maleate, Allyl hydrogen fumarate, allylhydrogenfumarate, Allyl hydrogen 2-butenedioate, starbld0048839
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.3564 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 192.61725 |
Chemical Identifiers
| CAS Number | 44981-48-8 |
|---|---|
| SMILES | C=CCOC(=O)/C=C/C(=O)O |
Product Overview
2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester (CAS 44981-48-8), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: (E)-4-oxo-4-prop-2-enoxybut-2-enoic acid.
Chemical Property Profile of 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester
Property Insights of 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester
The XLogP value of 0.3564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester. Following Lipinski's Rule of Five, 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester has 1 hydrogen bond donor(s) and 3 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 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester?
The CAS number of 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester is 44981-48-8.
What is the molecular formula of 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester?
The molecular formula of 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester is C7H8O4.
What is the molecular weight of 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester?
The molecular weight of 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester is 156.04 g/mol.
Where can I buy 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester?
You can request a quote for 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.