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CAS 926226-13-3 (2E)-3-(4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]PHENYL)ACRYLIC ACID molecular structure lightbox
CAS RN: 926226-13-3

(2E)-3-(4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]PHENYL)ACRYLIC ACID

  • Product code: SSC-206376
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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: ≥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 926226-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

926226-13-3 / (E)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoic acid

Standard CAS: 926226-13-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
926226-13-3
Multi CAS
Yes
Molecular Formula
C14H13NO3S
Molecular Weight
275.320000
Exact Mass
275.061614
InChI
InChI=1S/C14H13NO3S/c1-10-15-12(9-19-10)8-18-13-5-2-11(3-6-13)4-7-14(16)17/h2-7,9H,8H2,1H3,(H,16,17)/b7-4+
InChIKey
HAXFDEBZRFATBW-QPJJXVBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.29
TPSA
59.42

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
2.8
Consensus LogP
2.9
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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