2-Chloro-3-methyl-2-butenedioic acid
TL;DR: 2-Chloro-3-methyl-2-butenedioic acid (CAS 474745-47-6) is a chemical compound with molecular formula C5H5ClO4 and molecular weight 163.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-chloro-3-methylbut-2-enedioic acid
Also Known As: 2-Chloro-methylbutenedioic acid, 2-Chloro-3-methyl-2-butenedioic acid, 2-chloro-3-methylbut-2-enedioic acid, 2-chloro-3-methyl-cis-butenedioic acid, (2Z)-2-chloro-3-methylbut-2-enedioic acid
| Molecular Formula | C5H5ClO4 |
|---|---|
| Molecular Weight | 163.99 g/mol |
| LogP | 0.6684 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.98764 |
| Heavy Atoms | 10 |
| Complexity | 183.6935 |
Chemical Identifiers
| CAS Number | 474745-47-6 |
|---|---|
| SMILES | C/C(=C(\C(=O)O)/Cl)/C(=O)O |
Product Overview
2-Chloro-3-methyl-2-butenedioic acid (CAS 474745-47-6), with molecular formula C5H5ClO4 and molecular weight 163.99 g/mol. IUPAC: (Z)-2-chloro-3-methylbut-2-enedioic acid.
Chemical Property Profile of 2-Chloro-3-methyl-2-butenedioic acid
Property Insights of 2-Chloro-3-methyl-2-butenedioic acid
The XLogP value of 0.6684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-methyl-2-butenedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-methyl-2-butenedioic acid. Following Lipinski's Rule of Five, 2-Chloro-3-methyl-2-butenedioic acid has 2 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 2-Chloro-3-methyl-2-butenedioic acid?
The CAS number of 2-Chloro-3-methyl-2-butenedioic acid is 474745-47-6.
What is the molecular formula of 2-Chloro-3-methyl-2-butenedioic acid?
The molecular formula of 2-Chloro-3-methyl-2-butenedioic acid is C5H5ClO4.
What is the molecular weight of 2-Chloro-3-methyl-2-butenedioic acid?
The molecular weight of 2-Chloro-3-methyl-2-butenedioic acid is 163.99 g/mol.
Where can I buy 2-Chloro-3-methyl-2-butenedioic acid?
You can request a quote for 2-Chloro-3-methyl-2-butenedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-methyl-2-butenedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-methyl-2-butenedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.