CAS RN: 252947-01-6
METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER
- Product code: SSC-121137
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 25g, 5g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 4 In Stock | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Shanghai | Inquiry |
252947-01-6 / 4,4,5,5,5-pentafluoropentyl methanesulfonate
Basic Information
CAS
252947-01-6
Multi CAS
No
Molecular Formula
C6H9F5O3S
Molecular Weight
256.190000
Exact Mass
256.019256
SMILES
CS(=O)(=O)OCCCC(C(F)(F)F)(F)F
InChI
InChI=1S/C6H9F5O3S/c1-15(12,13)14-4-2-3-5(7,8)6(9,10)11/h2-4H2,1H3
InChIKey
MFRVGMDZPRZPDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
41.03
TPSA
43.37
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
2.1
Consensus LogP
1.92
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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