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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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
329325-18-0 / 3-methyl-1,1-dioxothiolan-3-amine;hydrochloride
Basic Information
CAS
329325-18-0
Multi CAS
No
Molecular Formula
C5H12CLNO2S
Molecular Weight
185.670000
Exact Mass
185.027728
InChI
InChI=1S/C5H11NO2S.ClH/c1-5(6)2-3-9(7,8)4-5;/h2-4,6H2,1H3;1H
InChIKey
QXTFWVCBUONAOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.11
TPSA
60.16
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.05
XLogP3
-0.06
Consensus LogP
-0.06
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very 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)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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