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CAS 20733-94-2 antithiamine factor molecular structure lightbox
CAS RN: 20733-94-2

antithiamine factor

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 100mg Out of stock Inquiry
Batchno.20251121 1g Out of stock Inquiry
Batchno.20260214 250mg Out of stock Inquiry
Batchno.20250107 25mg / 100mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong, Shandong, Hebei Inquiry
  • Product code: SSC-097624
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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: ＞97%
  • 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 20733-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

20733-94-2 / methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Standard CAS: 20733-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20733-94-2
Multi CAS
No
Molecular Formula
C12H14O5
Molecular Weight
238.240000
Exact Mass
238.084124
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC
InChI
InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+
InChIKey
JHLPYWLKSLVYOI-SNAWJCMRSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.26
TPSA
64.99

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

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

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