![CAS 302806-16-2 4-[(2-FURYLMETHYL)AMINO]TETRAHYDROTHIOPHENE-3-OL 1,1-DIOXIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2382049(1).gif)
CAS RN: 302806-16-2
4-[(2-FURYLMETHYL)AMINO]TETRAHYDROTHIOPHENE-3-OL 1,1-DIOXIDE
- Product code: SSC-134223
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 | Shanghai | Inquiry |
302806-16-2 / 4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol
Basic Information
CAS
302806-16-2
Multi CAS
No
Molecular Formula
C9H13NO4S
Molecular Weight
231.270000
Exact Mass
231.056529
InChI
InChI=1S/C9H13NO4S/c11-9-6-15(12,13)5-8(9)10-4-7-2-1-3-14-7/h1-3,8-11H,4-6H2
InChIKey
ORLZFELKWVMUAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
54
TPSA
79.54
LogP / Solubility
WLOGP
-0.47
MLOGP
-0.41
XLogP3
-1
Consensus LogP
-0.63
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
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)
-4.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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