CAS RN: 254762-27-1
4Hydroxy Diclofenac-D4 (Major)
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.20251114 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS254762-27-1
- Purity/Analytical Methods: >99.0%
254762-27-1 / 2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid
Basic Information
CAS
254762-27-1
Multi CAS
No
Molecular Formula
C14H11Cl2NO3
Molecular Weight
312.100000
Exact Mass
311.011599
SMILES
C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl
InChI
InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)/i1D,2D,3D,4D
InChIKey
KGVXVPRLBMWZLG-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
79.19
TPSA
69.56
LogP / Solubility
WLOGP
4.07
MLOGP
3.59
XLogP3
3.7
Consensus LogP
3.79
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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