trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide
TL;DR: trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide (CAS 22752-93-8) is a chemical compound with molecular formula C6H3ClO4 and molecular weight 173.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(4-chloro-5-oxofuran-2-ylidene)acetic acid
Also Known As: trans-2-Chlorodienelactone, trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide, (2Z)-2-(4-chloro-5-oxofuran-2-ylidene)acetic acid, 2-chloro-4-carboxy-methylenebut-2-enolide, (2Z)-(4-chloro-5-oxofuran-2(5H)-ylidene)acetic acid
| Molecular Formula | C6H3ClO4 |
|---|---|
| Molecular Weight | 173.97 g/mol |
| LogP | 0.6344 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.97198 |
| Heavy Atoms | 11 |
| Complexity | 276.3069 |
Chemical Identifiers
| CAS Number | 22752-93-8 |
|---|---|
| SMILES | C\1=C(C(=O)O/C1=C\C(=O)O)Cl |
Product Overview
trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide (CAS 22752-93-8), with molecular formula C6H3ClO4 and molecular weight 173.97 g/mol. IUPAC: (2Z)-2-(4-chloro-5-oxofuran-2-ylidene)acetic acid.
Chemical Property Profile of trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide
Property Insights of trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide
The XLogP value of 0.6344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide. Following Lipinski's Rule of Five, trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-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-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide?
The CAS number of trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide is 22752-93-8.
What is the molecular formula of trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide?
The molecular formula of trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide is C6H3ClO4.
What is the molecular weight of trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide?
The molecular weight of trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide is 173.97 g/mol.
Where can I buy trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide?
You can request a quote for trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide?
Yes, KEHONG BIO provides custom synthesis services for trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.