CAS RN: 864066-74-0
N-Succinimidyl 4-Cyano-4-(phenylcarbonothioylthio)pentanoate
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260615 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: SSC-195417
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 | Hong Kong | Inquiry |
864066-74-0 / (2,5-dioxopyrrolidin-1-yl) 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoate
Basic Information
CAS
864066-74-0
Multi CAS
No
Molecular Formula
C17H16N2O4S2
Molecular Weight
376.500000
Exact Mass
376.055149
InChI
InChI=1S/C17H16N2O4S2/c1-17(11-18,25-16(24)12-5-3-2-4-6-12)10-9-15(22)23-19-13(20)7-8-14(19)21/h2-6H,7-10H2,1H3
InChIKey
XQQHRPPQBDALBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
96.16
TPSA
87.47
LogP / Solubility
WLOGP
2.76
MLOGP
2.45
XLogP3
2.2
Consensus LogP
2.47
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
