Alizarine Saphirol SE
TL;DR: Alizarine Saphirol SE (CAS 5138-23-8) is a chemical compound with molecular formula C14H10N2O7S and molecular weight 350.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: Alizarine Saphirol SE, NCIOpen2_008926, 4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid, 4,8-diamino-1,5-dihydroxy-9,10-dioxo-anthracene-2-sulfonic acid, 2-Anthracenesulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-
| Molecular Formula | C14H10N2O7S |
|---|---|
| Molecular Weight | 350.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.02087 |
| Heavy Atoms | 24 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 5138-23-8 |
|---|---|
| SMILES | C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=CC(=C3O)S(=O)(=O)O)N)O |
| InChIKey | SPHQXPPVJCWUGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alizarine Saphirol SE (CAS 5138-23-8), with molecular formula C14H10N2O7S and molecular weight 350.02 g/mol. IUPAC: 4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of Alizarine Saphirol SE
Property Insights of Alizarine Saphirol SE
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alizarine Saphirol SE. The TPSA of 189.0 Ų indicates high polarity, suggesting Alizarine Saphirol SE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alizarine Saphirol SE has 5 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 Alizarine Saphirol SE?
The CAS number of Alizarine Saphirol SE is 5138-23-8.
What is the molecular formula of Alizarine Saphirol SE?
The molecular formula of Alizarine Saphirol SE is C14H10N2O7S.
What is the molecular weight of Alizarine Saphirol SE?
The molecular weight of Alizarine Saphirol SE is 350.02 g/mol.
Where can I buy Alizarine Saphirol SE?
You can request a quote for Alizarine Saphirol SE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alizarine Saphirol SE?
Yes, KEHONG BIO provides custom synthesis services for Alizarine Saphirol SE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.