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CAS 1216744-19-2 1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate molecular structure lightbox
CAS RN: 1216744-19-2

1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate

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13 package records13 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 10mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 100mg In stock Shanghai Inquiry
Batchno.20260524 10mg In stock Shanghai Inquiry
Batchno.20251011 1g In stock Shanghai Inquiry
Batchno.20250902 1mg In stock Shanghai Inquiry
Batchno.20260107 250mg In stock Shanghai Inquiry
Batchno.20250916 50mg In stock Shanghai Inquiry
Batchno.20250424 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 100mg In stock Inquiry
Batchno.20250501 10mg In stock Inquiry
Batchno.20250704 50mg In stock Inquiry
Batchno.20250425 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260317 1ml In stock Inquiry
  • Product code: SSC-024312
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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: ≥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 1216744-19-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1216744-19-2 / tert-butyl 2-[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate

Standard CAS: 1216744-19-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1216744-19-2
Multi CAS
No
Molecular Formula
C18H21ClN2O4S
Molecular Weight
396.900000
Exact Mass
396.091056
SMILES
CC(C)(C)OC(=O)CN(CC1=CC=C(C=C1)Cl)CC2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C18H21ClN2O4S/c1-18(2,3)25-17(22)12-20(10-13-4-6-14(19)7-5-13)11-15-8-9-16(26-15)21(23)24/h4-9H,10-12H2,1-3H3
InChIKey
WYSLOKHVFKLWOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
102.38
TPSA
72.68

LogP / Solubility

WLOGP
4.65
MLOGP
4.12
XLogP3
4.7
Consensus LogP
4.49
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
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)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Health Hazard
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P354+P338, P317, P342+P316, P403, and P501

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