CAS RN: 132392-26-8
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENESULFONYL CHLORIDE
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.20260410 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS132392-26-8
- Purity/Analytical Methods: >99.0%
132392-26-8 / 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-sulfonyl chloride
Basic Information
CAS
132392-26-8
Multi CAS
No
Molecular Formula
C14H19ClO2S
Molecular Weight
286.800000
Exact Mass
286.079429
SMILES
CC1(CCC(C2=C1C=CC(=C2)S(=O)(=O)Cl)(C)C)C
InChI
InChI=1S/C14H19ClO2S/c1-13(2)7-8-14(3,4)12-9-10(18(15,16)17)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3
InChIKey
BEAYCJSJSMOLFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
74.77
TPSA
34.14
LogP / Solubility
WLOGP
3.96
MLOGP
3.5
XLogP3
5.1
Consensus LogP
4.19
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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