C.I. Acid Orange 51
TL;DR: C.I. Acid Orange 51 (CAS 8003-88-1) is a chemical compound with molecular formula C36H26N6Na2O11S3 and molecular weight 860.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;8-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate
Also Known As: C.I. Acid Orange 51, ACID ORANGE 51, n-(4-aminophenyl)-n-ethyl-4,6-dimethyl-2-pyrimidinamine, disodium 8-[(e)-(3-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-5-[(e)-{4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl]naphthalene-2-sulfonate, disodium;8-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate
| Molecular Formula | C36H26N6Na2O11S3 |
|---|---|
| Molecular Weight | 860.06 g/mol |
| LogP | 2.52 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 860.0617 |
| Heavy Atoms | 58 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 8003-88-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)NC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+] |
| InChIKey | HBINTOQGSKHKJI-UHFFFAOYSA-L |
Product Overview
C.I. Acid Orange 51 (CAS 8003-88-1), with molecular formula C36H26N6Na2O11S3 and molecular weight 860.06 g/mol. IUPAC: disodium;8-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of C.I. Acid Orange 51
Property Insights of C.I. Acid Orange 51
The XLogP value of 2.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Acid Orange 51. The TPSA of 290.0 Ų indicates high polarity, suggesting C.I. Acid Orange 51 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Acid Orange 51 has 1 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. Acid Orange 51?
The CAS number of C.I. Acid Orange 51 is 8003-88-1.
What is the molecular formula of C.I. Acid Orange 51?
The molecular formula of C.I. Acid Orange 51 is C36H26N6Na2O11S3.
What is the molecular weight of C.I. Acid Orange 51?
The molecular weight of C.I. Acid Orange 51 is 860.06 g/mol.
Where can I buy C.I. Acid Orange 51?
You can request a quote for C.I. Acid Orange 51 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Acid Orange 51?
Yes, KEHONG BIO provides custom synthesis services for C.I. Acid Orange 51 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.