Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)
TL;DR: Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) (CAS 64046-41-9) is a chemical compound with molecular formula C18H16CaN2O8 and molecular weight 428.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-(2-formamidophenoxy)acetate)
Also Known As: Cid 46624, Calcium (o-carbamoyl)phenoxyacetate (2:1), calcium 2-(2-formamidophenoxy)acetate, Calcium bis[(2-formamidophenoxy)acetate], ACETIC ACID, (o-CARBAMOYL)PHENOXY-, CALCIUM SALT (2:1)
| Molecular Formula | C18H16CaN2O8 |
|---|---|
| Molecular Weight | 428.05 g/mol |
| LogP | -1.61 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.05325 |
| Heavy Atoms | 29 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 64046-41-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC=O)OCC(=O)[O-].C1=CC=C(C(=C1)NC=O)OCC(=O)[O-].[Ca+2] |
| InChIKey | LOPUUBCBNOEBQV-UHFFFAOYSA-L |
Product Overview
Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) (CAS 64046-41-9), with molecular formula C18H16CaN2O8 and molecular weight 428.05 g/mol. IUPAC: calcium bis(2-(2-formamidophenoxy)acetate).
Chemical Property Profile of Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)
Property Insights of Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)
The XLogP value of -1.61 indicates that Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) has 2 hydrogen bond donor(s) and 8 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 Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)?
The CAS number of Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) is 64046-41-9.
What is the molecular formula of Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)?
The molecular formula of Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) is C18H16CaN2O8.
What is the molecular weight of Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)?
The molecular weight of Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) is 428.05 g/mol.
Where can I buy Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)?
You can request a quote for Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.