CAS RN: 20287-70-1
2-(4-chlorophenyl)-4-thiazoleacetic acid ethyl ester
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.20260509 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20287-70-1
- Purity/Analytical Methods: >99.0%
20287-70-1 / ethyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
Basic Information
CAS
20287-70-1
Multi CAS
No
Molecular Formula
C13H12ClNO2S
Molecular Weight
281.760000
Exact Mass
281.027728
SMILES
CCOC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClNO2S/c1-2-17-12(16)7-11-8-18-13(15-11)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3
InChIKey
VTDNBASRFGRNAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
72.9
TPSA
39.19
LogP / Solubility
WLOGP
3.57
MLOGP
3.15
XLogP3
3.4
Consensus LogP
3.37
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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