(2E)-2,3-dichlorobut-2-enoic acid
TL;DR: (2E)-2,3-dichlorobut-2-enoic acid (CAS 59110-16-6) is a chemical compound with molecular formula C4H4Cl2O2 and molecular weight 153.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,3-dichlorobut-2-enoic acid
Also Known As: dichlorocrotonic acid, 2,3-Dichlorocrotonic acid, 2,3-dichloro-crotonic acid, (2E)-2,3-dichlorobut-2-enoic acid, 2-Butenoic acid, 2,3-dichloro-
| Molecular Formula | C4H4Cl2O2 |
|---|---|
| Molecular Weight | 153.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.95883 |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 59110-16-6 |
|---|---|
| SMILES | C/C(=C(/C(=O)O)\Cl)/Cl |
| InChIKey | SPGUWQVKUFZXJJ-NSCUHMNNSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-2,3-dichlorobut-2-enoic acid (CAS 59110-16-6), with molecular formula C4H4Cl2O2 and molecular weight 153.96 g/mol. IUPAC: (E)-2,3-dichlorobut-2-enoic acid.
Chemical Property Profile of (2E)-2,3-dichlorobut-2-enoic acid
Property Insights of (2E)-2,3-dichlorobut-2-enoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2,3-dichlorobut-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-2,3-dichlorobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2,3-dichlorobut-2-enoic acid has 1 hydrogen bond donor(s) and 2 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 (2E)-2,3-dichlorobut-2-enoic acid?
The CAS number of (2E)-2,3-dichlorobut-2-enoic acid is 59110-16-6.
What is the molecular formula of (2E)-2,3-dichlorobut-2-enoic acid?
The molecular formula of (2E)-2,3-dichlorobut-2-enoic acid is C4H4Cl2O2.
What is the molecular weight of (2E)-2,3-dichlorobut-2-enoic acid?
The molecular weight of (2E)-2,3-dichlorobut-2-enoic acid is 153.96 g/mol.
Where can I buy (2E)-2,3-dichlorobut-2-enoic acid?
You can request a quote for (2E)-2,3-dichlorobut-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 (2E)-2,3-dichlorobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2,3-dichlorobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.