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CAS 138786-67-1 Eupantol molecular structure lightbox
CAS RN: 138786-67-1

Eupantol

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260227 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20260311 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250724 1mg In stock Shanghai Inquiry
Batchno.20250418 250mg In stock Shanghai Inquiry
Batchno.20251208 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-048716
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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: 5g
  • 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 138786-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

138786-67-1 / Eupantol

Standard CAS: 138786-67-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138786-67-1
Multi CAS
No
Molecular Formula
C16H15F2N3NaO4S
Molecular Weight
406.400000
Exact Mass
406.064903
SMILES
COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC.[Na]
InChI
InChI=1S/C16H15F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3,(H,20,21);
InChIKey
WHCXDEORRDVLKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
95.93
TPSA
86.33

LogP / Solubility

WLOGP
2.5
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (17.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (17.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (15.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H351 (19.3%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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