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CAS 220665-47-4 1,2-Ethanediamine, N,N’-dimethyl-1,2-bis[4-(trifluoromethyl)phenyl]-, (1R,2R)- (9CI) molecular structure lightbox
CAS RN: 220665-47-4

1,2-Ethanediamine, N,N’-dimethyl-1,2-bis[4-(trifluoromethyl)phenyl]-, (1R,2R)- (9CI)

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250508 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250110 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260603 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251212 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-106167
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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: 1g
  • Available purity: ＞97%
  • 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 220665-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

220665-47-4 / (1R,2R)-N,N'-dimethyl-1,2-bis[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

Standard CAS: 220665-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220665-47-4
Multi CAS
No
Molecular Formula
C18H18F6N2
Molecular Weight
376.300000
Exact Mass
376.137418
SMILES
CN[C@H](C1=CC=C(C=C1)C(F)(F)F)[C@@H](C2=CC=C(C=C2)C(F)(F)F)NC
InChI
InChI=1S/C18H18F6N2/c1-25-15(11-3-7-13(8-4-11)17(19,20)21)16(26-2)12-5-9-14(10-6-12)18(22,23)24/h3-10,15-16,25-26H,1-2H3/t15-,16-/m1/s1
InChIKey
QQPBPDDAIKYJNS-HZPDHXFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
86.49
TPSA
24.06

LogP / Solubility

WLOGP
4.95
MLOGP
4.37
XLogP3
4.2
Consensus LogP
4.51
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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