![CAS 6358-53-8 1-[(2,5-dimethoxyphenyl)azo]-2-naphthol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6358-53-8.gif)
CAS RN: 6358-53-8
1-[(2,5-dimethoxyphenyl)azo]-2-naphthol
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS6358-53-8
- Purity/Analytical Methods: >99.0%
6358-53-8 / 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol
Basic Information
CAS
6358-53-8
Multi CAS
Yes
Molecular Formula
C18H16N2O3
Molecular Weight
308.300000
Exact Mass
308.116092
InChI
InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3
InChIKey
GJUABKCEXOMRPQ-UHFFFAOYSA-N
Physical Properties
Melting Point
311 to 315 °F (NTP, 1992)
156 °C
Physical Description
Citrus red no. 2 appears as orange to yellow solid or dark red powder. (NTP, 1992)
Orange to yellow or dark red solid; [CAMEO] Red crystalline solid
Appearance
Orange to yellow solid or dark red powder (NTP, 1992)
Crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
89.33
TPSA
63.41
LogP / Solubility
WLOGP
4.98
MLOGP
4.39
XLogP3
4.5
Consensus LogP
4.62
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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