CAS RN: 1824718-79-7
N-Succinimidyl-6-(2-pyridyldithio)capronate
- Product code: SSC-084487
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 | Shenzhen | Inquiry |
1824718-79-7 / (2,5-dioxopyrrolidin-1-yl) 6-(pyridin-2-yldisulfanyl)hexanoate
Basic Information
CAS
1824718-79-7
Multi CAS
No
Molecular Formula
C15H18N2O4S2
Molecular Weight
354.400000
Exact Mass
354.070799
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCCSSC2=CC=CC=N2
InChI
InChI=1S/C15H18N2O4S2/c18-13-8-9-14(19)17(13)21-15(20)7-2-1-5-11-22-23-12-6-3-4-10-16-12/h3-4,6,10H,1-2,5,7-9,11H2
InChIKey
GUNOUNRTBRPXOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
88.2
TPSA
76.57
LogP / Solubility
WLOGP
2.99
MLOGP
2.65
XLogP3
1.7
Consensus LogP
2.45
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.76
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
2.5
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