CAS RN: 64063-38-3
2,6-dichloro-3-Methylbenzene-1-sulfonyl chloride
- Product code: SSC-173843
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
64063-38-3 / 2,6-dichloro-3-methylbenzenesulfonyl chloride
Basic Information
CAS
64063-38-3
Multi CAS
No
Molecular Formula
C7H5CL3O2S
Molecular Weight
259.500000
Exact Mass
257.907584
InChI
InChI=1S/C7H5Cl3O2S/c1-4-2-3-5(8)7(6(4)9)13(10,11)12/h2-3H,1H3
InChIKey
MECQULFAAYGDDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.24
TPSA
34.14
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
3.6
Consensus LogP
3.23
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
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)
-2.01
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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