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: ≥96%
- 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 | ≥96% | 0 Out of Stock | Hong Kong | Inquiry |
90069-81-1 / thiophene-3,4-diamine;dihydrochloride
Basic Information
CAS
90069-81-1
Multi CAS
Yes
Molecular Formula
C4H8CL2N2S
Molecular Weight
187.090000
Exact Mass
185.978525
InChI
InChI=1S/C4H6N2S.2ClH/c5-3-1-7-2-4(3)6;;/h1-2H,5-6H2;2*1H
InChIKey
RAMOMCXNLLLICQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.64
TPSA
52.04
LogP / Solubility
WLOGP
1.76
MLOGP
1.54
XLogP3
1.76
Consensus LogP
1.69
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.61
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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2,2-Dimethyl-5-(3-thienyl)-1,3-dioxane-4,6-dione
- CAS RN: 61857-83-8
- Product Code: SSC-170829
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