Acid Orange 45
TL;DR: Acid Orange 45 (CAS 2429-80-3) is a chemical compound with molecular formula C35H25N5Na2O9S3 and molecular weight 801.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-amino-4-[[4-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: Benzyl orange, Acid Orange 45, Polar Orange R, Bucacid Orange R, Fenafor Orange R
| Molecular Formula | C35H25N5Na2O9S3 |
|---|---|
| Molecular Weight | 801.06 g/mol |
| LogP | 1.81 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 801.061 |
| Heavy Atoms | 54 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 2429-80-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | NJXPQVNXQNPYRT-UHFFFAOYSA-L |
Product Overview
Acid Orange 45 (CAS 2429-80-3), with molecular formula C35H25N5Na2O9S3 and molecular weight 801.06 g/mol. IUPAC: disodium;3-amino-4-[[4-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of Acid Orange 45
Property Insights of Acid Orange 45
The XLogP value of 1.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acid Orange 45. The TPSA of 258.0 Ų indicates high polarity, suggesting Acid Orange 45 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acid Orange 45 has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acid Orange 45?
The CAS number of Acid Orange 45 is 2429-80-3.
What is the molecular formula of Acid Orange 45?
The molecular formula of Acid Orange 45 is C35H25N5Na2O9S3.
What is the molecular weight of Acid Orange 45?
The molecular weight of Acid Orange 45 is 801.06 g/mol.
Where can I buy Acid Orange 45?
You can request a quote for Acid Orange 45 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid Orange 45?
Yes, KEHONG BIO provides custom synthesis services for Acid Orange 45 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.