CAS RN: 2375840-87-0
NDI-091143
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251224 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250430 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250725 | 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20250622 | 1g | Out of stock | Inquiry | |
| Batchno.20250628 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250726 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250121 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260529 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260113 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2375840-87-0
- Purity/Analytical Methods: >99.0%
2375840-87-0 / methyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
Basic Information
CAS
2375840-87-0
Multi CAS
No
Molecular Formula
C20H14ClF2NO5S
Molecular Weight
453.800000
Exact Mass
453.024928
SMILES
COC(=O)C1=CC(=C(C(=C1)Cl)O)S(=O)(=O)NC2=C(C=C(C(=C2)C3=CC=CC=C3)F)F
InChI
InChI=1S/C20H14ClF2NO5S/c1-29-20(26)12-7-14(21)19(25)18(8-12)30(27,28)24-17-9-13(15(22)10-16(17)23)11-5-3-2-4-6-11/h2-10,24-25H,1H3
InChIKey
YSTSHUWHIDBZAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
107.06
TPSA
92.7
LogP / Solubility
WLOGP
4.58
MLOGP
4.06
XLogP3
4.9
Consensus LogP
4.51
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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