C.I. Direct Red 39
TL;DR: C.I. Direct Red 39 (CAS 6358-29-8) is a chemical compound with molecular formula C32H26N4Na2O8S2 and molecular weight 704.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;8-[[4-[4-[(4-ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonate
Also Known As: Direct Fast Red 3B, Erie Scarlet 3B, C.I. Direct Red 39, Diphenyl Red 3BS, Chloramine Red 3B
| Molecular Formula | C32H26N4Na2O8S2 |
|---|---|
| Molecular Weight | 704.10 g/mol |
| LogP | 1.87 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 704.09875 |
| Heavy Atoms | 48 |
| Complexity | 1250.0 |
| Melting Point | 285.0 °C (decomposes) |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 6358-29-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C=CC5=CC(=CC(=C54)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C)C.[Na+].[Na+] |
| InChIKey | SLZCDQVDTBWJND-UHFFFAOYSA-L |
Product Overview
C.I. Direct Red 39 (CAS 6358-29-8), with molecular formula C32H26N4Na2O8S2 and molecular weight 704.10 g/mol. IUPAC: disodium;8-[[4-[4-[(4-ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonate.
Chemical Property Profile of C.I. Direct Red 39
Property Insights of C.I. Direct Red 39
The XLogP value of 1.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Direct Red 39. The TPSA of 210.0 Ų indicates high polarity, suggesting C.I. Direct Red 39 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Red 39 has 1 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 C.I. Direct Red 39?
The CAS number of C.I. Direct Red 39 is 6358-29-8.
What is the molecular formula of C.I. Direct Red 39?
The molecular formula of C.I. Direct Red 39 is C32H26N4Na2O8S2.
What is the molecular weight of C.I. Direct Red 39?
The molecular weight of C.I. Direct Red 39 is 704.10 g/mol.
Where can I buy C.I. Direct Red 39?
You can request a quote for C.I. Direct Red 39 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Red 39?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Red 39 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.