CAS RN: 709002-46-0
SirReal2
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.20260305 | 1mg / 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS709002-46-0
- Purity/Analytical Methods: >99.0%
709002-46-0 / 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
Basic Information
CAS
709002-46-0
Multi CAS
No
Molecular Formula
C22H20N4OS2
Molecular Weight
420.600000
Exact Mass
420.107854
InChI
InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
InChIKey
MENNDDDTIIZDDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
21
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
119.73
TPSA
67.77
LogP / Solubility
WLOGP
5.02
MLOGP
4.45
XLogP3
5.3
Consensus LogP
4.92
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
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
Yes
Log Kp (skin permeation)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
1-(4-bromo-2-methylphenyl)propan-1-one
- CAS RN: 709025-22-9
- Product Code: starshine_CAS709025-22-9
- Purity/Analytical method: >99.0%
-
3-hydroxy- α-oxoadamantane-1-acetic acid
- CAS RN: 709031-28-7
- Product Code: starshine_CAS709031-28-7
- Purity/Analytical method: >99.0%
-
(alphaS)-alpha-Amino-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid
- CAS RN: 709031-29-8
- Product Code: starshine_CAS709031-29-8
- Purity/Analytical method: >99.0%
-
(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride
- CAS RN: 709031-39-0
- Product Code: SSC-180604
-
2-Azabicyclo[3.1.0]hexane-3-carboxaMide, (1S,3S,5S)-,MonoMethanesulfonate
- CAS RN: 709031-45-8
- Product Code: starshine_CAS709031-45-8
- Purity/Analytical method: >99.0%
![CAS 709031-29-8 (alphaS)-alpha-Amino-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/709031-29-8.gif)
![CAS 709031-39-0 (1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/709031-39-0.gif)
![CAS 709031-45-8 2-Azabicyclo[3.1.0]hexane-3-carboxaMide, (1S,3S,5S)-,MonoMethanesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/709031-45-8.gif)