3-Hexenedioicacid
TL;DR: 3-Hexenedioicacid (CAS 4436-74-2) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enedioic acid
Also Known As: 3-Hexenedioic acid, hex-3-enedioic acid, 3-Hexenedioicacid, trans-3-Hexenedioic acid, (E)-hex-3-enedioic acid
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 4436-74-2 |
|---|---|
| SMILES | C(C=CCC(=O)O)C(=O)O |
| InChIKey | YHGNXQAFNHCBTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexenedioicacid (CAS 4436-74-2), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: hex-3-enedioic acid.
Chemical Property Profile of 3-Hexenedioicacid
Property Insights of 3-Hexenedioicacid
The XLogP value of -0.1 indicates that 3-Hexenedioicacid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hexenedioicacid. Following Lipinski's Rule of Five, 3-Hexenedioicacid has 2 hydrogen bond donor(s) and 4 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 3-Hexenedioicacid?
The CAS number of 3-Hexenedioicacid is 4436-74-2.
What is the molecular formula of 3-Hexenedioicacid?
The molecular formula of 3-Hexenedioicacid is C6H8O4.
What is the molecular weight of 3-Hexenedioicacid?
The molecular weight of 3-Hexenedioicacid is 144.04 g/mol.
Where can I buy 3-Hexenedioicacid?
You can request a quote for 3-Hexenedioicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexenedioicacid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexenedioicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.