Direct Red 12B
TL;DR: Direct Red 12B (CAS 5001-72-9) is a chemical compound with molecular formula C32H21N5Na2O8S2 and molecular weight 713.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-hydroxy-7-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)amino]-3-phenyldiazenylnaphthalene-2-sulfonate
Also Known As: Direct Red 31, Direct Red 12B, DIRECT PINK 12B, Direct Red 31, tech., C.I. Direct Red 31
| Molecular Formula | C32H21N5Na2O8S2 |
|---|---|
| Molecular Weight | 713.06 g/mol |
| LogP | 1.79 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 713.0627 |
| Heavy Atoms | 49 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 5001-72-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | OYUZMQYZGSMPII-UHFFFAOYSA-L |
Product Overview
Direct Red 12B (CAS 5001-72-9), with molecular formula C32H21N5Na2O8S2 and molecular weight 713.06 g/mol. IUPAC: disodium;4-hydroxy-7-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)amino]-3-phenyldiazenylnaphthalene-2-sulfonate.
Chemical Property Profile of Direct Red 12B
Property Insights of Direct Red 12B
The XLogP value of 1.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Direct Red 12B. The TPSA of 233.0 Ų indicates high polarity, suggesting Direct Red 12B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Red 12B has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Direct Red 12B?
The CAS number of Direct Red 12B is 5001-72-9.
What is the molecular formula of Direct Red 12B?
The molecular formula of Direct Red 12B is C32H21N5Na2O8S2.
What is the molecular weight of Direct Red 12B?
The molecular weight of Direct Red 12B is 713.06 g/mol.
Where can I buy Direct Red 12B?
You can request a quote for Direct Red 12B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Red 12B?
Yes, KEHONG BIO provides custom synthesis services for Direct Red 12B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.