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CAS 1213203-92-9 (R)-1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-4-YL)-ETHYLAMINE molecular structure lightbox
CAS RN: 1213203-92-9

(R)-1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-4-YL)-ETHYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-023278
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1213203-92-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1213203-92-9 / (1R)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanamine

(R)-1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-4-YL)-ETHYLAMINE | MFCD09829311 | (1R)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanamine

Standard CAS: 1213203-92-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213203-92-9
Multi CAS
Yes
Molecular Formula
C9H9F2NO2
Molecular Weight
201.170000
Exact Mass
201.060135
SMILES
C[C@H](C1=C2C(=CC=C1)OC(O2)(F)F)N
InChI
InChI=1S/C9H9F2NO2/c1-5(12)6-3-2-4-7-8(6)14-9(10,11)13-7/h2-5H,12H2,1H3/t5-/m1/s1
InChIKey
CBTSTJVNWKVHDE-RXMQYKEDSA-N
Synonyms
(R)-1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-4-YL)-ETHYLAMINE MFCD09829311 (1R)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanamine (R)-1-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine (1R)-1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.25
TPSA
44.48

LogP / Solubility

WLOGP
2.03
MLOGP
1.78
XLogP3
1.8
Consensus LogP
1.87
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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