三井酸性棕R
TL;DR: 三井酸性棕R (CAS 89785-22-8) is a chemical compound with molecular formula C26H18N4O8S2 and molecular weight 578.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三井酸性棕R
4-[2-[4,6-dioxo-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonic acid
Also Known As: Mitsui Acid Brown R, 4,4'-[(2,6-Dihydroxy-1,3-phenylene)bis(2,1-diazenediyl)]bis[1-naphthalenesulfonic acid], 4-[2-[4,6-dioxo-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonic acid
| Molecular Formula | C26H18N4O8S2 |
|---|---|
| Molecular Weight | 578.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.0566 |
| Heavy Atoms | 40 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 89785-22-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NN=C3C=CC(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)O)C3=O |
| InChIKey | DRLSINXEHBBLOE-UHFFFAOYSA-N |
Product Overview
三井酸性棕R (CAS 89785-22-8), with molecular formula C26H18N4O8S2 and molecular weight 578.06 g/mol. IUPAC: 4-[2-[4,6-dioxo-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonic acid.
Chemical Property Profile of 三井酸性棕R
Property Insights of 三井酸性棕R
The XLogP value of 3.6 indicates that 三井酸性棕R is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting 三井酸性棕R may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三井酸性棕R has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三井酸性棕R?
The CAS number of 三井酸性棕R is 89785-22-8.
What is the molecular formula of 三井酸性棕R?
The molecular formula of 三井酸性棕R is C26H18N4O8S2.
What is the molecular weight of 三井酸性棕R?
The molecular weight of 三井酸性棕R is 578.06 g/mol.
Where can I buy 三井酸性棕R?
You can request a quote for 三井酸性棕R directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三井酸性棕R?
Yes, KEHONG BIO provides custom synthesis services for 三井酸性棕R and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.