Patent Blue V free acid
TL;DR: Patent Blue V free acid (CAS 25305-77-5) is a chemical compound with molecular formula C27H32N2O7S2 and molecular weight 560.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-hydroxy-5-sulfobenzenesulfonate
Also Known As: Patent Blue, Patent Blue V free acid, PATENT BLUE [USAN], 2-((4-(diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-4-hydroxy-5-sulfobenzenesulfonate, 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-hydroxy-5-sulfobenzenesulfonate
| Molecular Formula | C27H32N2O7S2 |
|---|---|
| Molecular Weight | 560.17 g/mol |
| LogP | 3.8104 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.1651 |
| Heavy Atoms | 38 |
| Complexity | 1523.0203 |
Chemical Identifiers
| CAS Number | 25305-77-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)O)O |
Product Overview
Patent Blue V free acid (CAS 25305-77-5), with molecular formula C27H32N2O7S2 and molecular weight 560.17 g/mol. IUPAC: 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-hydroxy-5-sulfobenzenesulfonate.
Chemical Property Profile of Patent Blue V free acid
Property Insights of Patent Blue V free acid
The XLogP value of 3.8104 indicates that Patent Blue V free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Patent Blue V free acid. Following Lipinski's Rule of Five, Patent Blue V free acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Patent Blue V free acid?
The CAS number of Patent Blue V free acid is 25305-77-5.
What is the molecular formula of Patent Blue V free acid?
The molecular formula of Patent Blue V free acid is C27H32N2O7S2.
What is the molecular weight of Patent Blue V free acid?
The molecular weight of Patent Blue V free acid is 560.17 g/mol.
Where can I buy Patent Blue V free acid?
You can request a quote for Patent Blue V free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Patent Blue V free acid?
Yes, KEHONG BIO provides custom synthesis services for Patent Blue V free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.