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CAS 128196-01-0 Escitalopram molecular structure lightbox
CAS RN: 128196-01-0

Escitalopram

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 100mg In stock Shanghai Inquiry
Batchno.20251001 10mg In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20260310 1g In stock Shanghai Inquiry
Batchno.20250223 1g Out of stock 15 business days Inquiry
Batchno.20250718 250mg In stock Shanghai Inquiry
Batchno.20260413 250mg In stock Shanghai, Shandong Inquiry
Batchno.20251110 50mg In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-035514
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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 128196-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

128196-01-0 / (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile

Standard CAS: 128196-01-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
128196-01-0
Multi CAS
No
Molecular Formula
C20H21FN2O
Molecular Weight
324.400000
Exact Mass
324.163791
SMILES
CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
InChIKey
WSEQXVZVJXJVFP-FQEVSTJZSA-N

Physical Properties

Melting Point
147-152C
Physical Description
Solid
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature 2-8 °C. Store with desiccant. /Escitalopram oxalate/ Store at 25 °C (77 °F); excursions permitted to 15 - 30 °C (59-86 °F).

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
90.91
TPSA
36.26

LogP / Solubility

WLOGP
3.81
MLOGP
3.37
XLogP3
3.2
Consensus LogP
3.46
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501

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