Orange B游离酸
TL;DR: Orange B游离酸 (CAS 732922-62-2) is a chemical compound with molecular formula C22H18N4O9S2 and molecular weight 546.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Orange B游离酸
4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
Also Known As: Orange B free acid, C.I. Acid Orange 137 parent, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(4-sulfo-1-naphthalenyl)diazenyl)-1-(4-sulfophenyl)-, 3-ethyl ester, 4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid, 4-[2-[3-ethoxycarbonyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonic acid
| Molecular Formula | C22H18N4O9S2 |
|---|---|
| Molecular Weight | 546.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.0515 |
| Heavy Atoms | 37 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 732922-62-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O |
| InChIKey | CZKAWHARUCUKNT-UHFFFAOYSA-N |
Product Overview
Orange B游离酸 (CAS 732922-62-2), with molecular formula C22H18N4O9S2 and molecular weight 546.05 g/mol. IUPAC: 4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid.
Chemical Property Profile of Orange B游离酸
Property Insights of Orange B游离酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orange B游离酸. The TPSA of 209.0 Ų indicates high polarity, suggesting Orange B游离酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Orange B游离酸 has 3 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 Orange B游离酸?
The CAS number of Orange B游离酸 is 732922-62-2.
What is the molecular formula of Orange B游离酸?
The molecular formula of Orange B游离酸 is C22H18N4O9S2.
What is the molecular weight of Orange B游离酸?
The molecular weight of Orange B游离酸 is 546.05 g/mol.
Where can I buy Orange B游离酸?
You can request a quote for Orange B游离酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orange B游离酸?
Yes, KEHONG BIO provides custom synthesis services for Orange B游离酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.