CAS RN: 35427-68-0
1-chloro-N,N-dimethylmethanesulfonamide(SALTDATA: FREE)
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.20251130 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS35427-68-0
- Purity/Analytical Methods: >99.0%
35427-68-0 / 1-chloro-N,N-dimethylmethanesulfonamide
Basic Information
CAS
35427-68-0
Multi CAS
No
Molecular Formula
C3H8CLNO2S
Molecular Weight
157.620000
Exact Mass
156.996427
InChI
InChI=1S/C3H8ClNO2S/c1-5(2)8(6,7)3-4/h3H2,1-2H3
InChIKey
ZXITUKQGFPKRMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.33
TPSA
37.38
LogP / Solubility
WLOGP
0.07
MLOGP
0.06
XLogP3
0.2
Consensus LogP
0.11
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.63
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
