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CAS 1431697-89-0 OTSSP 167 hydrochloride molecular structure lightbox
CAS RN: 1431697-89-0

OTSSP 167 hydrochloride

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 100mg Out of stock Inquiry
Batchno.20260210 1g Out of stock Inquiry
Batchno.20260119 250mg Out of stock Inquiry
Batchno.20260424 25mg In stock Shanghai Inquiry
Batchno.20251123 50mg In stock Shanghai Inquiry
  • Product code: SSC-054500
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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 1431697-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1431697-89-0 / 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone

Standard CAS: 1431697-89-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1431697-89-0
Multi CAS
No
Molecular Formula
C25H28Cl2N4O2
Molecular Weight
487.400000
Exact Mass
486.158932
SMILES
CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl
InChI
InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)
InChIKey
DKZYXHCYPUVGAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
134.59
TPSA
78.35

LogP / Solubility

WLOGP
6.04
MLOGP
5.35
XLogP3
5.6
Consensus LogP
5.66
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.4

Drug-likeness / Medicinal Chemistry

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

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