Calcium 4-aminobenzoate (1:2)
TL;DR: Calcium 4-aminobenzoate (1:2) (CAS 60154-17-8) is a chemical compound with molecular formula C14H12CaN2O4 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-aminobenzoate)
Also Known As: Calcium aminobenzoate, Calcium 4-aminobenzoate (1:2), CALCIUM-H, calcium 4-aminobenzoate, calcium,4-aminobenzoate
| Molecular Formula | C14H12CaN2O4 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | -1.12 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.0423 |
| Heavy Atoms | 21 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 60154-17-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N.[Ca+2] |
| InChIKey | WERDFULIYLPZCO-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium 4-aminobenzoate (1:2) (CAS 60154-17-8), with molecular formula C14H12CaN2O4 and molecular weight 312.04 g/mol. IUPAC: calcium bis(4-aminobenzoate).
Chemical Property Profile of Calcium 4-aminobenzoate (1:2)
Property Insights of Calcium 4-aminobenzoate (1:2)
The XLogP value of -1.12 indicates that Calcium 4-aminobenzoate (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium 4-aminobenzoate (1:2). Following Lipinski's Rule of Five, Calcium 4-aminobenzoate (1:2) has 2 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-aminobenzoate (1:2)?
The CAS number of Calcium 4-aminobenzoate (1:2) is 60154-17-8.
What is the molecular formula of Calcium 4-aminobenzoate (1:2)?
The molecular formula of Calcium 4-aminobenzoate (1:2) is C14H12CaN2O4.
What is the molecular weight of Calcium 4-aminobenzoate (1:2)?
The molecular weight of Calcium 4-aminobenzoate (1:2) is 312.04 g/mol.
Where can I buy Calcium 4-aminobenzoate (1:2)?
You can request a quote for Calcium 4-aminobenzoate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 4-aminobenzoate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Calcium 4-aminobenzoate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.