Mordant Blue 1
TL;DR: Mordant Blue 1 (CAS 15012-28-9) is a chemical compound with molecular formula C23H16Cl2O6 and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid
Also Known As: Mordant Blue 1, Chrome Fast Pure Blue B, 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid, 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid, 5-[(Z)-(3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid
| Molecular Formula | C23H16Cl2O6 |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.03238 |
| Heavy Atoms | 31 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 15012-28-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(=O)O)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC=C3Cl)Cl |
| InChIKey | IRQJHUBPRAPSRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mordant Blue 1 (CAS 15012-28-9), with molecular formula C23H16Cl2O6 and molecular weight 458.03 g/mol. IUPAC: 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of Mordant Blue 1
Property Insights of Mordant Blue 1
The XLogP value of 6.6 indicates that Mordant Blue 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mordant Blue 1. Following Lipinski's Rule of Five, Mordant Blue 1 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mordant Blue 1?
The CAS number of Mordant Blue 1 is 15012-28-9.
What is the molecular formula of Mordant Blue 1?
The molecular formula of Mordant Blue 1 is C23H16Cl2O6.
What is the molecular weight of Mordant Blue 1?
The molecular weight of Mordant Blue 1 is 458.03 g/mol.
Where can I buy Mordant Blue 1?
You can request a quote for Mordant Blue 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mordant Blue 1?
Yes, KEHONG BIO provides custom synthesis services for Mordant Blue 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.