考马斯亮蓝
TL;DR: 考马斯亮蓝 (CAS 6104-59-2) is a chemical compound with molecular formula C45H44N3NaO7S2 and molecular weight 825.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
考马斯亮蓝
sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
Also Known As: Brilliant Blue R, Acid Blue 83, AcidBlue83, Brilliant Blue R250, Kenacid blue
| Molecular Formula | C45H44N3NaO7S2 |
|---|---|
| Molecular Weight | 825.25 g/mol |
| LogP | 5.27 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 825.25183 |
| Heavy Atoms | 58 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 6104-59-2 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC.[Na+] |
| InChIKey | NKLPQNGYXWVELD-UHFFFAOYSA-M |
Product Overview
考马斯亮蓝 (CAS 6104-59-2), with molecular formula C45H44N3NaO7S2 and molecular weight 825.25 g/mol. IUPAC: sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate.
Chemical Property Profile of 考马斯亮蓝
Property Insights of 考马斯亮蓝
The XLogP value of 5.27 indicates that 考马斯亮蓝 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 考马斯亮蓝 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 考马斯亮蓝 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 考马斯亮蓝?
The CAS number of 考马斯亮蓝 is 6104-59-2.
What is the molecular formula of 考马斯亮蓝?
The molecular formula of 考马斯亮蓝 is C45H44N3NaO7S2.
What is the molecular weight of 考马斯亮蓝?
The molecular weight of 考马斯亮蓝 is 825.25 g/mol.
Where can I buy 考马斯亮蓝?
You can request a quote for 考马斯亮蓝 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 考马斯亮蓝?
Yes, KEHONG BIO provides custom synthesis services for 考马斯亮蓝 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.