trans-4-Carboxymethylenebut-2-en-4-olide
TL;DR: trans-4-Carboxymethylenebut-2-en-4-olide (CAS 22752-92-7) is a chemical compound with molecular formula C6H4O4 and molecular weight 140.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(5-oxofuran-2-ylidene)acetic acid
Also Known As: Dienelactone, cis-dienelactone, trans-4-Carboxymethylenebut-2-en-4-olide, 4-carboxymethylenebut-2-en-4-olide, (2Z)-2-(5-oxofuran-2-ylidene)acetic acid
| Molecular Formula | C6H4O4 |
|---|---|
| Molecular Weight | 140.01 g/mol |
| LogP | 0.0679 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.01096 |
| Heavy Atoms | 10 |
| Complexity | 236.13237 |
Chemical Identifiers
| CAS Number | 22752-92-7 |
|---|---|
| SMILES | C\1=CC(=O)O/C1=C\C(=O)O |
Product Overview
trans-4-Carboxymethylenebut-2-en-4-olide (CAS 22752-92-7), with molecular formula C6H4O4 and molecular weight 140.01 g/mol. IUPAC: (2Z)-2-(5-oxofuran-2-ylidene)acetic acid.
Chemical Property Profile of trans-4-Carboxymethylenebut-2-en-4-olide
Property Insights of trans-4-Carboxymethylenebut-2-en-4-olide
The XLogP value of 0.0679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-4-Carboxymethylenebut-2-en-4-olide. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-4-Carboxymethylenebut-2-en-4-olide. Following Lipinski's Rule of Five, trans-4-Carboxymethylenebut-2-en-4-olide 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 trans-4-Carboxymethylenebut-2-en-4-olide?
The CAS number of trans-4-Carboxymethylenebut-2-en-4-olide is 22752-92-7.
What is the molecular formula of trans-4-Carboxymethylenebut-2-en-4-olide?
The molecular formula of trans-4-Carboxymethylenebut-2-en-4-olide is C6H4O4.
What is the molecular weight of trans-4-Carboxymethylenebut-2-en-4-olide?
The molecular weight of trans-4-Carboxymethylenebut-2-en-4-olide is 140.01 g/mol.
Where can I buy trans-4-Carboxymethylenebut-2-en-4-olide?
You can request a quote for trans-4-Carboxymethylenebut-2-en-4-olide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-4-Carboxymethylenebut-2-en-4-olide?
Yes, KEHONG BIO provides custom synthesis services for trans-4-Carboxymethylenebut-2-en-4-olide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.