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CAS 2058236-52-3 Isoquinoline, 1-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]- molecular structure lightbox
CAS RN: 2058236-52-3

Isoquinoline, 1-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 100mg Out of stock 8-10 business days Inquiry
Batchno.20260513 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250516 1g In stock Shanghai Inquiry
Batchno.20250812 250mg In stock Shanghai Inquiry
  • Product code: SSC-096947
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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: 1g
  • Available purity: ＞97%
  • 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 2058236-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

2058236-52-3 / (4S)-4-benzyl-2-isoquinolin-1-yl-4,5-dihydro-1,3-oxazole

Standard CAS: 2058236-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2058236-52-3
Multi CAS
No
Molecular Formula
C19H16N2O
Molecular Weight
288.300000
Exact Mass
288.126263
SMILES
C1[C@@H](N=C(O1)C2=NC=CC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(21-16)18-17-9-5-4-8-15(17)10-11-20-18/h1-11,16H,12-13H2/t16-/m0/s1
InChIKey
XZIVMSMUJWFAHH-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
88.17
TPSA
34.48

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
4
Consensus LogP
3.61
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

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

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