CAS RN: 796073-55-7
Pentanoic acid, 4-methyl-4-(methyldithio)-
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.20250226 | 5mg / 25mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-188732
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
796073-55-7 / 4-methyl-4-(methyldisulfanyl)pentanoic acid
Basic Information
CAS
796073-55-7
Multi CAS
No
Molecular Formula
C7H14O2S2
Molecular Weight
194.300000
Exact Mass
194.043522
InChI
InChI=1S/C7H14O2S2/c1-7(2,11-10-3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKey
GYFCEVXCVFNSCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.05
TPSA
37.3
LogP / Solubility
WLOGP
2.64
MLOGP
2.32
XLogP3
1.4
Consensus LogP
2.12
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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