C17H15N3O6S2.Ca
TL;DR: C17H15N3O6S2.Ca (CAS 65152-20-7) is a chemical compound with molecular formula C17H13CaN3O6S2 and molecular weight 458.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 1-amino-4-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
Also Known As: calcium1-amino-4-[ azo]naphthalene-2-sulphonate, 2-Naphthalenesulfonic acid, 1-amino-4-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (1:1), 1-Amino-4-((2-sulfo-p-tolyl)azo)-2-naphthalenesulfonic acid, calcium salt (1:1), 2-Naphthalenesulfonic acid, 1-amino-4-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1), calcium 1-amino-4-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
| Molecular Formula | C17H13CaN3O6S2 |
|---|---|
| Molecular Weight | 458.99 g/mol |
| LogP | 2.57 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.98718 |
| Heavy Atoms | 29 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 65152-20-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC2=CC(=C(C3=CC=CC=C32)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2] |
| InChIKey | DAECNVZEQKEXCN-UHFFFAOYSA-L |
Product Overview
C17H15N3O6S2.Ca (CAS 65152-20-7), with molecular formula C17H13CaN3O6S2 and molecular weight 458.99 g/mol. IUPAC: calcium 1-amino-4-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of C17H15N3O6S2.Ca
Property Insights of C17H15N3O6S2.Ca
The XLogP value of 2.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H15N3O6S2.Ca. The TPSA of 182.0 Ų indicates high polarity, suggesting C17H15N3O6S2.Ca may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C17H15N3O6S2.Ca has 1 hydrogen bond donor(s) and 9 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 C17H15N3O6S2.Ca?
The CAS number of C17H15N3O6S2.Ca is 65152-20-7.
What is the molecular formula of C17H15N3O6S2.Ca?
The molecular formula of C17H15N3O6S2.Ca is C17H13CaN3O6S2.
What is the molecular weight of C17H15N3O6S2.Ca?
The molecular weight of C17H15N3O6S2.Ca is 458.99 g/mol.
Where can I buy C17H15N3O6S2.Ca?
You can request a quote for C17H15N3O6S2.Ca directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H15N3O6S2.Ca?
Yes, KEHONG BIO provides custom synthesis services for C17H15N3O6S2.Ca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.