CAS RN: 56044-12-3
2,4-DIOXO-1,2,3,4-TETRAHYDRO-QUINAZOLINE-6-SULFONYL CHLORIDE
- Product code: SSC-164013
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 | Hong Kong | Inquiry |
56044-12-3 / 2,4-dioxo-1H-quinazoline-6-sulfonyl chloride
Basic Information
CAS
56044-12-3
Multi CAS
Yes
Molecular Formula
C8H5CLN2O4S
Molecular Weight
260.650000
Exact Mass
259.965856
InChI
InChI=1S/C8H5ClN2O4S/c9-16(14,15)4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
InChIKey
LEFXQSDJQGOMPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.23
TPSA
99.86
LogP / Solubility
WLOGP
0.14
MLOGP
0.13
XLogP3
0.8
Consensus LogP
0.36
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.21
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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