Disperse blue 354 (C.I. 48480)
TL;DR: Disperse blue 354 (C.I. 48480) (CAS 74239-96-6) is a chemical compound with molecular formula C31H39N3O2S and molecular weight 517.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-(dihexylamino)-2-methylphenyl]methylidene]-1,1-dihydroxy-1-benzothiophen-3-ylidene]propanedinitrile
Also Known As: Disperse blue 354 (C.I. 48480), disperse blue 354;2-(2-((4-(dihexylamino)-2-methylphenyl)methylene)-1,1-dioxidobenzo(b)thien-3(2h)-ylidene)propanedinitrile
| Molecular Formula | C31H39N3O2S |
|---|---|
| Molecular Weight | 517.28 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 517.2763 |
| Heavy Atoms | 37 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 74239-96-6 |
|---|---|
| SMILES | CCCCCCN(CCCCCC)C1=CC(=C(C=C1)C=C2C(=C(C#N)C#N)C3=CC=CC=C3S2(O)O)C |
| InChIKey | PKTFYZSGZNKQIM-UHFFFAOYSA-N |
Product Overview
Disperse blue 354 (C.I. 48480) (CAS 74239-96-6), with molecular formula C31H39N3O2S and molecular weight 517.28 g/mol. IUPAC: 2-[2-[[4-(dihexylamino)-2-methylphenyl]methylidene]-1,1-dihydroxy-1-benzothiophen-3-ylidene]propanedinitrile.
Chemical Property Profile of Disperse blue 354 (C.I. 48480)
Property Insights of Disperse blue 354 (C.I. 48480)
The XLogP value of 8.0 indicates that Disperse blue 354 (C.I. 48480) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Disperse blue 354 (C.I. 48480). Following Lipinski's Rule of Five, Disperse blue 354 (C.I. 48480) has 2 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 Disperse blue 354 (C.I. 48480)?
The CAS number of Disperse blue 354 (C.I. 48480) is 74239-96-6.
What is the molecular formula of Disperse blue 354 (C.I. 48480)?
The molecular formula of Disperse blue 354 (C.I. 48480) is C31H39N3O2S.
What is the molecular weight of Disperse blue 354 (C.I. 48480)?
The molecular weight of Disperse blue 354 (C.I. 48480) is 517.28 g/mol.
Where can I buy Disperse blue 354 (C.I. 48480)?
You can request a quote for Disperse blue 354 (C.I. 48480) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disperse blue 354 (C.I. 48480)?
Yes, KEHONG BIO provides custom synthesis services for Disperse blue 354 (C.I. 48480) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.