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CAS 1309241-34-6 GRP-60367 molecular structure lightbox
CAS RN: 1309241-34-6

GRP-60367

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 100mg In stock Shanghai Inquiry
Batchno.20250401 25mg In stock Shanghai Inquiry
Batchno.20260324 50mg In stock Shanghai Inquiry
  • Product code: SSC-037460
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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: 0.1g
  • 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 1309241-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1309241-34-6 / [4-[2-(2,5-dimethylphenoxy)ethylamino]piperidin-1-yl]-pyridin-4-ylmethanone

Standard CAS: 1309241-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1309241-34-6
Multi CAS
No
Molecular Formula
C21H27N3O2
Molecular Weight
353.500000
Exact Mass
353.210327
SMILES
CC1=CC(=C(C=C1)C)OCCNC2CCN(CC2)C(=O)C3=CC=NC=C3
InChI
InChI=1S/C21H27N3O2/c1-16-3-4-17(2)20(15-16)26-14-11-23-19-7-12-24(13-8-19)21(25)18-5-9-22-10-6-18/h3-6,9-10,15,19,23H,7-8,11-14H2,1-2H3
InChIKey
WNJMKSOJWRDLLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
102.58
TPSA
54.46

LogP / Solubility

WLOGP
2.97
MLOGP
2.63
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-2.77

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

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