![CAS 4265-59-2 Propanoic acid, 3,3′-[(1-methylethylidene)bis(thio)]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4265-59-2.gif)
CAS RN: 4265-59-2
Propanoic acid, 3,3′-[(1-methylethylidene)bis(thio)]bis-
- Product code: SSC-150955
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 | Hong Kong | Inquiry |
4265-59-2 / 3-[2-(2-carboxyethylsulfanyl)propan-2-ylsulfanyl]propanoic acid
Basic Information
CAS
4265-59-2
Multi CAS
No
Molecular Formula
C9H16O4S2
Molecular Weight
252.400000
Exact Mass
252.049001
InChI
InChI=1S/C9H16O4S2/c1-9(2,14-5-3-7(10)11)15-6-4-8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKey
QMHSRLRLGYJODR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.5
TPSA
74.6
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
1.2
Consensus LogP
1.74
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
