CAS RN: 138384-97-1
METHYL 4-((4-(TERT-BUTOXYCARBONYL)PIPERAZINYL)SULFONYL)BENZOATE
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.20260406 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-048301
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: 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
138384-97-1 / tert-butyl 4-(4-methoxycarbonylphenyl)sulfonylpiperazine-1-carboxylate
Basic Information
CAS
138384-97-1
Multi CAS
No
Molecular Formula
C17H24N2O6S
Molecular Weight
384.400000
Exact Mass
384.135508
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C17H24N2O6S/c1-17(2,3)25-16(21)18-9-11-19(12-10-18)26(22,23)14-7-5-13(6-8-14)15(20)24-4/h5-8H,9-12H2,1-4H3
InChIKey
JEFLDVXIWBKZRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
94.35
TPSA
93.22
LogP / Solubility
WLOGP
1.71
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.61
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85
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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