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CAS 1243583-85-8 MG149 molecular structure lightbox
CAS RN: 1243583-85-8

MG149

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 100mg In stock Shanghai Inquiry
Batchno.20250424 10mg In stock Shanghai Inquiry
Batchno.20250304 1mg In stock Shanghai Inquiry
Batchno.20260121 250mg In stock Shanghai Inquiry
Batchno.20250808 25mg In stock Shanghai Inquiry
Batchno.20251201 2mg In stock Shanghai Inquiry
Batchno.20250814 50mg In stock Shanghai Inquiry
Batchno.20250628 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100mg In stock Inquiry
Batchno.20250122 25mg In stock Inquiry
Batchno.20260512 5mg In stock Inquiry
  • Product code: SSC-028294
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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: 0.25g
  • 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 1243583-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1243583-85-8 / 2-[2-(4-heptylphenyl)ethyl]-6-hydroxybenzoic acid

Standard CAS: 1243583-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243583-85-8
Multi CAS
No
Molecular Formula
C22H28O3
Molecular Weight
340.500000
Exact Mass
340.203845
SMILES
CCCCCCCC1=CC=C(C=C1)CCC2=C(C(=CC=C2)O)C(=O)O
InChI
InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)
InChIKey
WBHQYBZRTAEHRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
101.38
TPSA
57.53

LogP / Solubility

WLOGP
5.39
MLOGP
4.76
XLogP3
7.4
Consensus LogP
5.85
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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