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CAS 1228817-38-6 Mps1-IN-2 molecular structure lightbox
CAS RN: 1228817-38-6

Mps1-IN-2

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250828 5mg / 10mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250306 100mg In stock Shanghai Inquiry
Batchno.20250302 10mg In stock Shanghai Inquiry
Batchno.20260524 250mg In stock Shanghai Inquiry
Batchno.20250506 25mg In stock Shanghai Inquiry
Batchno.20251130 50mg In stock Shanghai Inquiry
Batchno.20260201 5mg In stock Shanghai Inquiry
  • Product code: SSC-026529
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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 1228817-38-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1228817-38-6 / 9-cyclopentyl-2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one

Standard CAS: 1228817-38-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228817-38-6
Multi CAS
No
Molecular Formula
C26H36N6O3
Molecular Weight
480.600000
Exact Mass
480.284889
SMILES
CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(CCC(=O)N4C)C5CCCC5
InChI
InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29)
InChIKey
WELBJLUKWAJOQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.58
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
138.01
TPSA
94.06

LogP / Solubility

WLOGP
3.7
MLOGP
3.29
XLogP3
3.2
Consensus LogP
3.4
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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