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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1208081-36-0 / 2,5-dichloropyridine-3-sulfonyl chloride
2,5-dichloropyridine-3-sulfonyl chloride | 2,5-Dichloro-pyridine-3-sulfonyl chloride | MFCD15142815
Basic Information
CAS
1208081-36-0
Multi CAS
No
Molecular Formula
C5H2Cl3NO2S
Molecular Weight
246.500000
Exact Mass
244.887183
SMILES
C1=C(C=NC(=C1S(=O)(=O)Cl)Cl)Cl
InChI
InChI=1S/C5H2Cl3NO2S/c6-3-1-4(12(8,10)11)5(7)9-2-3/h1-2H
InChIKey
WVMVRXXYNPDVBK-UHFFFAOYSA-N
Synonyms
2,5-dichloropyridine-3-sulfonyl chloride
2,5-Dichloro-pyridine-3-sulfonyl chloride
MFCD15142815
2,5-Dichloro-pyridine-3-sulphonyl chloride
SCHEMBL16913927
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.3
TPSA
47.03
LogP / Solubility
WLOGP
2.32
MLOGP
2.04
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.58
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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