I4WWI5MI7C
TL;DR: I4WWI5MI7C (CAS 83249-60-9) is a chemical compound with molecular formula C20H12CaN2O7S2 and molecular weight 495.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
Also Known As: 1-Naphthalenesulfonic acid, 2-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo]-, calcium salt (1:1), 1-Naphthalenesulfonic acid, 2-((2-hydroxy-6-sulfo-1-naphthalenyl)azo)-, calcium salt (1:1), Calcium 2-((2-hydroxy-6-sulfonato-1-naphthyl)azo)naphthalenesulfonate, 1-Naphthalenesulfonic acid, 2-(2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl)-, calcium salt (1:1), Calcium 2-((2-hydroxy-6-sulphonato-1-naphthyl)azo)naphthalenesulphonate
| Molecular Formula | C20H12CaN2O7S2 |
|---|---|
| Molecular Weight | 495.97 g/mol |
| LogP | 3.5414 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 495.9712 |
| Heavy Atoms | 32 |
| Complexity | 854.0 |
Chemical Identifiers
| CAS Number | 83249-60-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])O.[Ca+2] |
| InChIKey | ONPJOMROUFBQOP-UHFFFAOYSA-L |
Product Overview
I4WWI5MI7C (CAS 83249-60-9), with molecular formula C20H12CaN2O7S2 and molecular weight 495.97 g/mol. IUPAC: calcium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of I4WWI5MI7C
Property Insights of I4WWI5MI7C
The XLogP value of 3.5414 indicates that I4WWI5MI7C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting I4WWI5MI7C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I4WWI5MI7C 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 I4WWI5MI7C?
The CAS number of I4WWI5MI7C is 83249-60-9.
What is the molecular formula of I4WWI5MI7C?
The molecular formula of I4WWI5MI7C is C20H12CaN2O7S2.
What is the molecular weight of I4WWI5MI7C?
The molecular weight of I4WWI5MI7C is 495.97 g/mol.
Where can I buy I4WWI5MI7C?
You can request a quote for I4WWI5MI7C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I4WWI5MI7C?
Yes, KEHONG BIO provides custom synthesis services for I4WWI5MI7C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.