2,4-二氨基苯磺酸钙盐
TL;DR: 2,4-二氨基苯磺酸钙盐 (CAS 51247-58-6) is a chemical compound with molecular formula C12H14CaN4O6S2 and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二氨基苯磺酸钙盐
calcium bis(2,4-diaminobenzenesulfonate)
Also Known As: C6H8N2O3S.1/2Ca, calcium;2,4-diaminobenzenesulfonate, 2,4-Diaminobenzenesulfonic acid, calcium salt, calcium 2,4-diaminobenzenesulfonate, Benzenesulfonic acid, 2,4-diamino-, calcium salt (2:1)
| Molecular Formula | C12H14CaN4O6S2 |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | -0.8706 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 413.99808 |
| Heavy Atoms | 25 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 51247-58-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)N)S(=O)(=O)[O-].C1=CC(=C(C=C1N)N)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | MOULIFDXMDLHBH-UHFFFAOYSA-L |
Product Overview
2,4-二氨基苯磺酸钙盐 (CAS 51247-58-6), with molecular formula C12H14CaN4O6S2 and molecular weight 414.00 g/mol. IUPAC: calcium bis(2,4-diaminobenzenesulfonate).
Chemical Property Profile of 2,4-二氨基苯磺酸钙盐
Property Insights of 2,4-二氨基苯磺酸钙盐
The XLogP value of -0.8706 indicates that 2,4-二氨基苯磺酸钙盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 235.0 Ų indicates high polarity, suggesting 2,4-二氨基苯磺酸钙盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-二氨基苯磺酸钙盐 has 4 hydrogen bond donor(s) and 10 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 2,4-二氨基苯磺酸钙盐?
The CAS number of 2,4-二氨基苯磺酸钙盐 is 51247-58-6.
What is the molecular formula of 2,4-二氨基苯磺酸钙盐?
The molecular formula of 2,4-二氨基苯磺酸钙盐 is C12H14CaN4O6S2.
What is the molecular weight of 2,4-二氨基苯磺酸钙盐?
The molecular weight of 2,4-二氨基苯磺酸钙盐 is 414.00 g/mol.
Where can I buy 2,4-二氨基苯磺酸钙盐?
You can request a quote for 2,4-二氨基苯磺酸钙盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二氨基苯磺酸钙盐?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二氨基苯磺酸钙盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.