Calcium (4-chloro-2-methylphenoxy)acetate
TL;DR: Calcium (4-chloro-2-methylphenoxy)acetate (CAS 72731-35-2) is a chemical compound with molecular formula C18H16CaCl2O6 and molecular weight 438.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-(4-chloro-2-methylphenoxy)acetate)
Also Known As: Calcium acetate, MCP-Ca, C9H9ClO3.1/2Ca, EINECS 276-805-8, Calcium (4-chloro-2-methylphenoxy)acetate
| Molecular Formula | C18H16CaCl2O6 |
|---|---|
| Molecular Weight | 438.00 g/mol |
| LogP | 1.17344 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.995 |
| Heavy Atoms | 27 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 72731-35-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Ca+2] |
| InChIKey | XLNYBYYHALTQAJ-UHFFFAOYSA-L |
Product Overview
Calcium (4-chloro-2-methylphenoxy)acetate (CAS 72731-35-2), with molecular formula C18H16CaCl2O6 and molecular weight 438.00 g/mol. IUPAC: calcium bis(2-(4-chloro-2-methylphenoxy)acetate).
Chemical Property Profile of Calcium (4-chloro-2-methylphenoxy)acetate
Property Insights of Calcium (4-chloro-2-methylphenoxy)acetate
The XLogP value of 1.17344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium (4-chloro-2-methylphenoxy)acetate. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium (4-chloro-2-methylphenoxy)acetate. Following Lipinski's Rule of Five, Calcium (4-chloro-2-methylphenoxy)acetate has 0 hydrogen bond donor(s) and 6 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 Calcium (4-chloro-2-methylphenoxy)acetate?
The CAS number of Calcium (4-chloro-2-methylphenoxy)acetate is 72731-35-2.
What is the molecular formula of Calcium (4-chloro-2-methylphenoxy)acetate?
The molecular formula of Calcium (4-chloro-2-methylphenoxy)acetate is C18H16CaCl2O6.
What is the molecular weight of Calcium (4-chloro-2-methylphenoxy)acetate?
The molecular weight of Calcium (4-chloro-2-methylphenoxy)acetate is 438.00 g/mol.
Where can I buy Calcium (4-chloro-2-methylphenoxy)acetate?
You can request a quote for Calcium (4-chloro-2-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium (4-chloro-2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Calcium (4-chloro-2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.