CAS RN: 1416153-62-2
SR9238
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250121 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260511 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250729 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250303 | 1g | Out of stock | Inquiry | |
| Batchno.20260322 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250319 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250531 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1416153-62-2
- Purity/Analytical Methods: >99.0%
1416153-62-2 / ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate
Basic Information
CAS
1416153-62-2
Multi CAS
No
Molecular Formula
C31H33NO7S2
Molecular Weight
595.700000
Exact Mass
595.169845
SMILES
CCOC(=O)C1=CC=C(O1)CN(CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C)S(=O)(=O)C4=C(C=C(C=C4C)C)C
InChI
InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3
InChIKey
HDZWHJYZJWLTAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
23
Fraction Csp3
0.26
Rotatable bonds
10
H-bond acceptors
7
Molar refractivity
156.74
TPSA
110.96
LogP / Solubility
WLOGP
5.84
MLOGP
5.19
XLogP3
5.7
Consensus LogP
5.58
Log S (ESOL)
-6.97
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.58
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4.5
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