CAS RN: 128-66-5
Vat Yellow 4
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS128-66-5
- Purity/Analytical Methods: >99.0%
128-66-5 / hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione
Basic Information
CAS
128-66-5
Multi CAS
No
Molecular Formula
C24H12O2
Molecular Weight
332.300000
Exact Mass
332.083730
SMILES
C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O
InChI
InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H
InChIKey
ZTWQZJLUUZHJGS-UHFFFAOYSA-N
Physical Properties
Physical Description
C.i. vat yellow 4 is a viscous orange liquid. Used for coloring of cotton, wool and cellulose acetate.
Orange liquid; [CAMEO]
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
22
H-bond acceptors
2
Molar refractivity
101.69
TPSA
34.14
LogP / Solubility
WLOGP
5.26
MLOGP
4.65
XLogP3
5.4
Consensus LogP
5.1
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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