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CAS 154130-99-1 1,2,3,6-TETRAHYDRO-5-[3-(4-METHYLPHENYL)-5-ISOXAZOLYL]-1-PROPYLPYRIDINE OXALATE molecular structure lightbox
CAS RN: 154130-99-1

1,2,3,6-TETRAHYDRO-5-[3-(4-METHYLPHENYL)-5-ISOXAZOLYL]-1-PROPYLPYRIDINE OXALATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 10mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-063513
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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: 0.01g
  • 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 154130-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g ≥95% 0 Out of Stock Shanghai Inquiry

154130-99-1 / 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole;oxalic acid

Standard CAS: 154130-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154130-99-1
Multi CAS
No
Molecular Formula
C20H24N2O5
Molecular Weight
372.400000
Exact Mass
372.168522
SMILES
CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C18H22N2O.C2H2O4/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15;3-1(4)2(5)6/h5-9,12H,3-4,10-11,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
IWSFHSVGBKPYFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
101.27
TPSA
103.87

LogP / Solubility

WLOGP
3.3
MLOGP
2.93
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

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)
-2.65

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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