RefChem:325526
TL;DR: RefChem:325526 (CAS 51579-74-9) is a chemical compound with molecular formula C13H10CaO7S2 and molecular weight 381.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-hydroxy-4-(4-methylphenyl)sulfonyl-5-oxidobenzenesulfonate
Also Known As: Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt (1:1), Calcium 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)benzenesulfonate (1:1), 2,5-Dihydroxy-4-sulfo-4'-methyldiphenylsulfone, sel de calcium, 2,5-Dihydroxy-4-sulfo-4'-methyldiphenylsulfone, sel de calcium [French], calcium 2-hydroxy-4-(4-methylphenyl)sulfonyl-5-oxidobenzenesulfonate
| Molecular Formula | C13H10CaO7S2 |
|---|---|
| Molecular Weight | 381.95 g/mol |
| LogP | 0.13032 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.94937 |
| Heavy Atoms | 23 |
| Complexity | 933.0335 |
Chemical Identifiers
| CAS Number | 51579-74-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)[O-])[O-].[Ca+2] |
Product Overview
RefChem:325526 (CAS 51579-74-9), with molecular formula C13H10CaO7S2 and molecular weight 381.95 g/mol. IUPAC: calcium 2-hydroxy-4-(4-methylphenyl)sulfonyl-5-oxidobenzenesulfonate.
Chemical Property Profile of RefChem:325526
Property Insights of RefChem:325526
The XLogP value of 0.13032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:325526. The TPSA of 134.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:325526. Following Lipinski's Rule of Five, RefChem:325526 has 1 hydrogen bond donor(s) and 7 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 RefChem:325526?
The CAS number of RefChem:325526 is 51579-74-9.
What is the molecular formula of RefChem:325526?
The molecular formula of RefChem:325526 is C13H10CaO7S2.
What is the molecular weight of RefChem:325526?
The molecular weight of RefChem:325526 is 381.95 g/mol.
Where can I buy RefChem:325526?
You can request a quote for RefChem:325526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325526?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.