CAS RN: 72895-88-6
Eltenac
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260619 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS72895-88-6
- Purity/Analytical Methods: >99.0%
72895-88-6 / 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetic acid
Basic Information
CAS
72895-88-6
Multi CAS
No
Molecular Formula
C12H9CL2NO2S
Molecular Weight
302.200000
Exact Mass
300.973105
InChI
InChI=1S/C12H9Cl2NO2S/c13-8-2-1-3-9(14)12(8)15-10-6-18-5-7(10)4-11(16)17/h1-3,5-6,15H,4H2,(H,16,17)
InChIKey
AELILMBZWCGOSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.4
TPSA
49.33
LogP / Solubility
WLOGP
4.43
MLOGP
3.91
XLogP3
3.9
Consensus LogP
4.08
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble
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)
-1.42
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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![CAS 72901-16-7 Bisacodyl Related Compound C (20 mg) (4-[(4-Hydroxyphenyl)(pyridin-2-yl)methyl]phenyl acetate) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72901-16-7.gif)
