![CAS 3771-31-1 4-[(6-methoxybenzothiazol-2-yl)azo]-N,N-dimethylaniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3771-31-1.gif)
CAS RN: 3771-31-1
4-[(6-methoxybenzothiazol-2-yl)azo]-N,N-dimethylaniline
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.20260218 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3771-31-1
- Purity/Analytical Methods: >99.0%
3771-31-1 / 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylaniline
Basic Information
CAS
3771-31-1
Multi CAS
Yes
Molecular Formula
C16H16N4OS
Molecular Weight
312.400000
Exact Mass
312.104482
InChI
InChI=1S/C16H16N4OS/c1-20(2)12-6-4-11(5-7-12)18-19-16-17-14-9-8-13(21-3)10-15(14)22-16/h4-10H,1-3H3
InChIKey
AVPFTROGVGTTEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
91.12
TPSA
50.08
LogP / Solubility
WLOGP
4.79
MLOGP
4.23
XLogP3
4.6
Consensus LogP
4.54
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
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)
-1.23
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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