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CAS 1270138-40-3 NSI-189 molecular structure lightbox
CAS RN: 1270138-40-3

NSI-189

Product Availability

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10 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250508 1g In stock Shanghai, Hebei Inquiry
Batchno.20260513 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250106 10mg In stock Shanghai Inquiry
Batchno.20250105 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251018 1mg In stock Shanghai Inquiry
Batchno.20250225 25g Out of stock Inquiry
Batchno.20260312 25mg In stock Shanghai Inquiry
Batchno.20260523 50mg In stock Shanghai Inquiry
Batchno.20250820 5g In stock Shanghai Inquiry
Batchno.20251128 5mg In stock Shanghai Inquiry
  • Product code: SSC-034418
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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: 5g
  • 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 1270138-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1270138-40-3 / (4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone

Standard CAS: 1270138-40-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1270138-40-3
Multi CAS
No
Molecular Formula
C22H30N4O
Molecular Weight
366.500000
Exact Mass
366.241962
SMILES
CC(C)CCNC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H30N4O/c1-18(2)10-12-24-21-20(9-6-11-23-21)22(27)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,24)
InChIKey
DYTOQURYRYYNOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
109.8
TPSA
48.47

LogP / Solubility

WLOGP
3.5
MLOGP
3.1
XLogP3
4.2
Consensus LogP
3.6
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P403+P233, P405, and P501

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