CAS RN: 40759-45-3
1-(2-Methanesulfonyloxyethyl)-2-Chlorobenzene
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.20250517 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40759-45-3
- Purity/Analytical Methods: >99.0%
40759-45-3 / 2-(2-chlorophenyl)ethyl methanesulfonate
Basic Information
CAS
40759-45-3
Multi CAS
No
Molecular Formula
C9H11CLO3S
Molecular Weight
234.700000
Exact Mass
234.011743
InChI
InChI=1S/C9H11ClO3S/c1-14(11,12)13-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3
InChIKey
ZNHIBZIUMHTTKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
55.95
TPSA
43.37
LogP / Solubility
WLOGP
1.86
MLOGP
1.64
XLogP3
2.2
Consensus LogP
1.9
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2.83
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
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