CAS RN: 1286448-70-1
Alclofenac-d5
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.20260414 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1286448-70-1
- Purity/Analytical Methods: >99.0%
1286448-70-1 / 2-[3-chloro-4-(1,1,2,3,3-pentadeuterioprop-2-enoxy)phenyl]acetic acid
Basic Information
CAS
1286448-70-1
Multi CAS
No
Molecular Formula
C11H11ClO3
Molecular Weight
231.680000
Exact Mass
231.071056
SMILES
[2H]C(=C([2H])C([2H])([2H])OC1=C(C=C(C=C1)CC(=O)O)Cl)[2H]
InChI
InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)/i1D2,2D,5D2
InChIKey
ARHWPKZXBHOEEE-FDMROVFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.48
TPSA
46.53
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.42
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1286692-89-4 ETHYL 6-BENZYL-2-OXA-6-AZASPIRO[3.4]OCTANE-8-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1286692-89-4.gif)
