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CAS 478336-92-4 ISO-1 molecular structure lightbox
CAS RN: 478336-92-4

ISO-1

Product Availability

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250420 100mg In stock Shanghai Inquiry
Batchno.20250609 10mg In stock Shanghai Inquiry
Batchno.20250418 1g In stock Shanghai Inquiry
Batchno.20250705 1mg In stock Shanghai Inquiry
Batchno.20260211 250mg In stock Shanghai Inquiry
Batchno.20260320 25mg In stock Shanghai Inquiry
Batchno.20250709 50mg In stock Shanghai Inquiry
Batchno.20260529 5g In stock Shanghai Inquiry
Batchno.20260522 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250705 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-154790
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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 478336-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

478336-92-4 / methyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate

Standard CAS: 478336-92-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
478336-92-4
Multi CAS
Yes
Molecular Formula
C12H13NO4
Molecular Weight
235.240000
Exact Mass
235.084458
InChI
InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3
InChIKey
AIXMJTYHQHQJLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.77
TPSA
68.12

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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