CAS RN: 27619-88-1
3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulphonyl chloride
- Product code: SSC-127552
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
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
27619-88-1 / 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonyl chloride
Basic Information
CAS
27619-88-1
Multi CAS
Yes
Molecular Formula
C6H4CLF9O2S
Molecular Weight
346.600000
Exact Mass
345.947682
InChI
InChI=1S/C6H4ClF9O2S/c7-19(17,18)2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H2
InChIKey
VKUQIBIIJYOHSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
45.15
TPSA
34.14
LogP / Solubility
WLOGP
3.41
MLOGP
3.02
XLogP3
3.9
Consensus LogP
3.44
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
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
Customers Also Viewed
-
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulphonyl chloride
- CAS RN: 27619-89-2
- Product Code: SSC-127553
-
-
-
-
-
2,3-DIHYDRO-IMIDAZO[1,2-C]QUINAZOLIN-5-YLAMINE
- CAS RN: 27631-28-3
- Product Code: SSC-127604
![CAS 27631-28-3 2,3-DIHYDRO-IMIDAZO[1,2-C]QUINAZOLIN-5-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27631-28-3.gif)