CAS RN: 1286107-99-0
Diflunisal-d3
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.20250816 | 2.5mg / 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1286107-99-0
- Purity/Analytical Methods: >99.0%
1286107-99-0 / 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
Basic Information
CAS
1286107-99-0
Multi CAS
No
Molecular Formula
C13H8F2O3
Molecular Weight
250.200000
Exact Mass
250.044150
SMILES
C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O
InChI
InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChIKey
HUPFGZXOMWLGNK-UHFFFAOYSA-N
Physical Properties
Melting Point
210-211
210 - 221 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.42
TPSA
57.53
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
4.4
Consensus LogP
3.37
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H361 (92.9%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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