CAS RN: 2377355-49-0
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250725 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-115647
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
2377355-49-0 / tert-butyl (5S)-5-[[(R)-tert-butylsulfinyl]amino]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
Basic Information
CAS
2377355-49-0
Multi CAS
No
Molecular Formula
C21H33N3O3S
Molecular Weight
407.600000
Exact Mass
407.224263
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC3=C([C@H]2N[S@](=O)C(C)(C)C)C=CC=N3
InChI
InChI=1S/C21H33N3O3S/c1-19(2,3)27-18(25)24-12-9-21(10-13-24)14-16-15(8-7-11-22-16)17(21)23-28(26)20(4,5)6/h7-8,11,17,23H,9-10,12-14H2,1-6H3/t17-,28-/m1/s1
InChIKey
SJTXQQDUCNHTOR-JYRCXFKTSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
111.19
TPSA
71.53
LogP / Solubility
WLOGP
3.75
MLOGP
3.32
XLogP3
2.7
Consensus LogP
3.26
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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