C.I. Direct Red 189, trisodium salt
TL;DR: C.I. Direct Red 189, trisodium salt (CAS 5905-31-7) is a chemical compound with molecular formula C25H25N3O and molecular weight 383.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-methylphenyl)prop-2-enamide
Also Known As: C.I. Direct Red 189, trisodium salt, (2Z)-2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(3-methylphenyl)prop-2-enamide, (Z)-2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-methylphenyl)prop-2-enamide, 2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(3-methylphenyl)acrylamide, 2-Naphthalenesulfonic acid, 3-[[2,5-dimethyl-4-[(4-sulfophenyl)azo]phenyl]azo]-4-hydroxy-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-, trisodium salt
| Molecular Formula | C25H25N3O |
|---|---|
| Molecular Weight | 383.20 g/mol |
| LogP | 5.56508 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.19977 |
| Heavy Atoms | 29 |
| Complexity | 1159.297 |
Chemical Identifiers
| CAS Number | 5905-31-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)/C(=C\C2=C(N(C(=C2)C)C3=C(C=C(C=C3)C)C)C)/C#N |
Product Overview
C.I. Direct Red 189, trisodium salt (CAS 5905-31-7), with molecular formula C25H25N3O and molecular weight 383.20 g/mol. IUPAC: (Z)-2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-methylphenyl)prop-2-enamide.
Chemical Property Profile of C.I. Direct Red 189, trisodium salt
Property Insights of C.I. Direct Red 189, trisodium salt
The XLogP value of 5.56508 indicates that C.I. Direct Red 189, trisodium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.82 Ų, C.I. Direct Red 189, trisodium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C.I. Direct Red 189, trisodium salt has 1 hydrogen bond donor(s) and 2 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 189, trisodium salt?
The CAS number of C.I. Direct Red 189, trisodium salt is 5905-31-7.
What is the molecular formula of C.I. Direct Red 189, trisodium salt?
The molecular formula of C.I. Direct Red 189, trisodium salt is C25H25N3O.
What is the molecular weight of C.I. Direct Red 189, trisodium salt?
The molecular weight of C.I. Direct Red 189, trisodium salt is 383.20 g/mol.
Where can I buy C.I. Direct Red 189, trisodium salt?
You can request a quote for C.I. Direct Red 189, trisodium salt 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 189, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Red 189, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.