CAS RN: 72256-96-3
5-bromo-2,4-dimethylbenzenesulfonyl chloride(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.20260421 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS72256-96-3
- Purity/Analytical Methods: >99.0%
72256-96-3 / 5-bromo-2,4-dimethylbenzenesulfonyl chloride
Basic Information
CAS
72256-96-3
Multi CAS
No
Molecular Formula
C8H8BRCLO2S
Molecular Weight
283.570000
Exact Mass
281.911690
InChI
InChI=1S/C8H8BrClO2S/c1-5-3-6(2)8(4-7(5)9)13(10,11)12/h3-4H,1-2H3
InChIKey
PVNIDZKWTRPCOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.65
TPSA
34.14
LogP / Solubility
WLOGP
2.99
MLOGP
2.64
XLogP3
3.4
Consensus LogP
3.01
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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