![CAS 879399-82-3 4-Thiazoleacetic acid, 2-[[2-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]-2-morpholinyl]methyl]amino]-2-oxoethyl]thio]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/879399-82-3.gif)
CAS RN: 879399-82-3
4-Thiazoleacetic acid, 2-[[2-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]-2-morpholinyl]methyl]amino]-2-oxoethyl]thio]-
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.20250802 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS879399-82-3
- Purity/Analytical Methods: >99.0%
879399-82-3 / 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
Basic Information
CAS
879399-82-3
Multi CAS
No
Molecular Formula
C19H21CL2N3O4S2
Molecular Weight
490.400000
Exact Mass
489.035054
InChI
InChI=1S/C19H21Cl2N3O4S2/c20-15-2-1-12(5-16(15)21)8-24-3-4-28-14(9-24)7-22-17(25)11-30-19-23-13(10-29-19)6-18(26)27/h1-2,5,10,14H,3-4,6-9,11H2,(H,22,25)(H,26,27)/t14-/m0/s1
InChIKey
QBXNXHODSIQDRT-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
11
Fraction Csp3
0.42
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
118.67
TPSA
91.76
LogP / Solubility
WLOGP
3.19
MLOGP
2.84
XLogP3
0.8
Consensus LogP
2.28
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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