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CAS 42967-55-5 Potassium Monomethyl Terephthalate molecular structure lightbox
CAS RN: 42967-55-5

Potassium Monomethyl Terephthalate

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100g In stock Shanghai Inquiry
Batchno.20250207 25g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-151261
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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: 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 42967-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Hong Kong Inquiry

42967-55-5 / potassium 4-methoxycarbonylbenzoate

Standard CAS: 42967-55-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42967-55-5
Multi CAS
Yes
Molecular Formula
C9H7KO4
Molecular Weight
218.250000
Exact Mass
217.998140
InChI
InChI=1S/C9H8O4.K/c1-13-9(12)7-4-2-6(3-5-7)8(10)11;/h2-5H,1H3,(H,10,11);/q;+1/p-1
InChIKey
DWNDFZTVSFSFTB-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.11
TPSA
66.43

LogP / Solubility

WLOGP
-3.16
MLOGP
-2.78
XLogP3
-3.16
Consensus LogP
-3.03
Log S (ESOL)
0.61
Class (ESOL)
Highly soluble
Log S (Ali)
0.93
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.3
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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