CAS RN: 1456632-40-8
SH-4-54
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 100mg | Out of stock | Inquiry | |
| Batchno.20250615 | 10mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250516 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251004 | 250mg | Out of stock | Inquiry | |
| Batchno.20250615 | 25mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260219 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250515 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250920 | 5mg | In stock | Shanghai, Tianjin | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250208 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1456632-40-8
- Purity/Analytical Methods: >99.0%
1456632-40-8 / 4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]amino]benzoic acid
Basic Information
CAS
1456632-40-8
Multi CAS
No
Molecular Formula
C29H27F5N2O5S
Molecular Weight
610.600000
Exact Mass
610.156084
SMILES
CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39)
InChIKey
VFPYGNNOSJWBHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
142.91
TPSA
94.99
LogP / Solubility
WLOGP
5.98
MLOGP
5.31
XLogP3
6.2
Consensus LogP
5.83
Log S (ESOL)
-7.12
Class (ESOL)
Insoluble
Log S (Ali)
-8.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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