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CAS 94856-25-4 ABERCHROME 670 molecular structure lightbox
CAS RN: 94856-25-4

ABERCHROME 670

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250227 1g In stock Inquiry
Batchno.20251212 200mg In stock Inquiry
Batchno.20250718 50mg In stock Inquiry
Batchno.20250920 5g In stock Inquiry
  • Product code: SSC-210053
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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: ≥98%
  • 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 94856-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

94856-25-4 / (4E)-3-(2-adamantylidene)-4-[1-(2,5-dimethylfuran-3-yl)ethylidene]oxolane-2,5-dione

Standard CAS: 94856-25-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94856-25-4
Multi CAS
Yes
Molecular Formula
C22H24O4
Molecular Weight
352.400000
Exact Mass
352.167459
InChI
InChI=1S/C22H24O4/c1-10-4-17(12(3)25-10)11(2)18-20(22(24)26-21(18)23)19-15-6-13-5-14(8-15)9-16(19)7-13/h4,13-16H,5-9H2,1-3H3/b18-11+,20-19?
InChIKey
OOVNPWVABCFZRY-HJJJESHSSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
95.95
TPSA
56.51

LogP / Solubility

WLOGP
4.51
MLOGP
3.98
XLogP3
4.9
Consensus LogP
4.46
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67

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
8

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