CAS RN: 28485-18-9
2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-SULFONYL CHLORIDE
- Product code: SSC-129859
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 |
28485-18-9 / 2,4-dioxo-1H-pyrimidine-5-sulfonyl chloride
Basic Information
CAS
28485-18-9
Multi CAS
Yes
Molecular Formula
C4H3CLN2O4S
Molecular Weight
210.600000
Exact Mass
209.950205
InChI
InChI=1S/C4H3ClN2O4S/c5-12(10,11)2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey
FQHNJCWWBKYCJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.72
TPSA
99.86
LogP / Solubility
WLOGP
-1.01
MLOGP
-0.89
XLogP3
-0.7
Consensus LogP
-0.87
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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