Direct Brown CMD
TL;DR: Direct Brown CMD (CAS 6360-54-9) is a chemical compound with molecular formula C33H26N8Na2O6S and molecular weight 708.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxy-3-methylbenzoate
Also Known As: Direct Brown CMD, Erie Brown 3GN, Direct Brown 5GR, Direct Brown D3Y, Phenamine Brown 3G
| Molecular Formula | C33H26N8Na2O6S |
|---|---|
| Molecular Weight | 708.15 g/mol |
| LogP | 1.36 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 708.1492 |
| Heavy Atoms | 50 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 6360-54-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(=O)[O-])N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C(=CC(=C4N)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C)N.[Na+].[Na+] |
| InChIKey | FAQUHXBTAIFQMH-UHFFFAOYSA-L |
Product Overview
Direct Brown CMD (CAS 6360-54-9), with molecular formula C33H26N8Na2O6S and molecular weight 708.15 g/mol. IUPAC: disodium;5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxy-3-methylbenzoate.
Chemical Property Profile of Direct Brown CMD
Property Insights of Direct Brown CMD
The XLogP value of 1.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Direct Brown CMD. The TPSA of 252.0 Ų indicates high polarity, suggesting Direct Brown CMD may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Brown CMD has 3 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 Direct Brown CMD?
The CAS number of Direct Brown CMD is 6360-54-9.
What is the molecular formula of Direct Brown CMD?
The molecular formula of Direct Brown CMD is C33H26N8Na2O6S.
What is the molecular weight of Direct Brown CMD?
The molecular weight of Direct Brown CMD is 708.15 g/mol.
Where can I buy Direct Brown CMD?
You can request a quote for Direct Brown CMD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Brown CMD?
Yes, KEHONG BIO provides custom synthesis services for Direct Brown CMD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.