Zinc Abietate
TL;DR: Zinc Abietate (CAS 85650-79-9) is a chemical compound with molecular formula C33H26N6Na2O12S2 and molecular weight 808.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfonatoanilino)anilino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitrobenzenesulfonate
Also Known As: Zinc Abietate, C.I. Acid Brown 103, EINECS 229-871-7, EINECS 288-088-9, Benzenesulfonic acid, 2,2'-((2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino(2-methyl-4,1-phenylene)imino))bis(5-nitro-, disodium salt
| Molecular Formula | C33H26N6Na2O12S2 |
|---|---|
| Molecular Weight | 808.08 g/mol |
| LogP | -0.74306 |
| Topological Polar Surface Area | 282.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 808.08453 |
| Heavy Atoms | 55 |
| Complexity | 2561.2012 |
Chemical Identifiers
| CAS Number | 85650-79-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC2=CC(=O)C(=C(C2=O)C)NC3=CC(=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])C)NC5=C(C=C(C=C5)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
Zinc Abietate (CAS 85650-79-9), with molecular formula C33H26N6Na2O12S2 and molecular weight 808.08 g/mol. IUPAC: disodium;2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfonatoanilino)anilino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitrobenzenesulfonate.
Chemical Property Profile of Zinc Abietate
Property Insights of Zinc Abietate
The XLogP value of -0.74306 indicates that Zinc Abietate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 282.94 Ų indicates high polarity, suggesting Zinc Abietate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Zinc Abietate has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Zinc Abietate?
The CAS number of Zinc Abietate is 85650-79-9.
What is the molecular formula of Zinc Abietate?
The molecular formula of Zinc Abietate is C33H26N6Na2O12S2.
What is the molecular weight of Zinc Abietate?
The molecular weight of Zinc Abietate is 808.08 g/mol.
Where can I buy Zinc Abietate?
You can request a quote for Zinc Abietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zinc Abietate?
Yes, KEHONG BIO provides custom synthesis services for Zinc Abietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.