Anthrasol Brown IBR酸盐
TL;DR: Anthrasol Brown IBR酸盐 (CAS 7420-56-6) is a chemical compound with molecular formula C42H22N2O24S6 and molecular weight 1129.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Anthrasol Brown IBR酸盐
(7,14,27,33,40-pentasulfooxy-17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1(44),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-docosaen-20-yl) hydrogen sulfate
Also Known As: C.I. 70801 free acid, Anthrasol Brown IBR acid salt, C.I. Solubilised Vat Brown 1 acid salt, Dinaphtho[2,3-a:2',3'-i]naphth[2',3':6,7]indolo[2,3-c]carbazole-5,10,15,17,22,24-hexol, 5,10,15,17,22,24-hexakis(hydrogen sulfate), Dinaphtho[2,3-a:2',3'-i]naphth[2',3':6,7]indolo[2,3-c]carbazole-5,10,15,17,22,24-hexol, hexakis(hydrogen sulfate) (ester)
| Molecular Formula | C42H22N2O24S6 |
|---|---|
| Molecular Weight | 1129.89 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 457.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 12 |
| Exact Mass | 1129.8887 |
| Heavy Atoms | 74 |
| Complexity | 3430.0 |
Chemical Identifiers
| CAS Number | 7420-56-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC4=C5C6=C7C=CC8=C(C9=CC=CC=C9C(=C8C7=NC6=C1C(=C5N=C4C3=C2OS(=O)(=O)O)C(=C2C=CC=CC2=C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |
| InChIKey | ARNBPTRNWWUITP-UHFFFAOYSA-N |
Product Overview
Anthrasol Brown IBR酸盐 (CAS 7420-56-6), with molecular formula C42H22N2O24S6 and molecular weight 1129.89 g/mol. IUPAC: (7,14,27,33,40-pentasulfooxy-17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1(44),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-docosaen-20-yl) hydrogen sulfate.
Chemical Property Profile of Anthrasol Brown IBR酸盐
Property Insights of Anthrasol Brown IBR酸盐
The XLogP value of 4.8 indicates that Anthrasol Brown IBR酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 457.0 Ų indicates high polarity, suggesting Anthrasol Brown IBR酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anthrasol Brown IBR酸盐 has 6 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthrasol Brown IBR酸盐?
The CAS number of Anthrasol Brown IBR酸盐 is 7420-56-6.
What is the molecular formula of Anthrasol Brown IBR酸盐?
The molecular formula of Anthrasol Brown IBR酸盐 is C42H22N2O24S6.
What is the molecular weight of Anthrasol Brown IBR酸盐?
The molecular weight of Anthrasol Brown IBR酸盐 is 1129.89 g/mol.
Where can I buy Anthrasol Brown IBR酸盐?
You can request a quote for Anthrasol Brown IBR酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthrasol Brown IBR酸盐?
Yes, KEHONG BIO provides custom synthesis services for Anthrasol Brown IBR酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.