CAS RN: 1544-85-0
5-Amino-2,2-difluoro-1,3-benzodioxole
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250904 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250212 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250806 | 10g | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20251102 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260522 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20260402 | 25g | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20250530 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20260322 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-063726
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
1544-85-0 / 2,2-difluoro-1,3-benzodioxol-5-amine
Basic Information
CAS
1544-85-0
Multi CAS
No
Molecular Formula
C7H5F2NO2
Molecular Weight
173.120000
Exact Mass
173.028835
SMILES
C1=CC2=C(C=C1N)OC(O2)(F)F
InChI
InChI=1S/C7H5F2NO2/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3H,10H2
InChIKey
CVYQRDKVWVBOFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.06
TPSA
44.48
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]
H312 (16.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (18.4%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (20.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (16.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501
