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CAS 154934-13-1 Thieno[3,4-b]-1,4-dioxin-5,7-dicarboxylic acid, 2,3-dihydro-, diethyl ester molecular structure lightbox
CAS RN: 154934-13-1

Thieno[3,4-b]-1,4-dioxin-5,7-dicarboxylic acid, 2,3-dihydro-, diethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-064248
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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 154934-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

154934-13-1 / diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate

Standard CAS: 154934-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154934-13-1
Multi CAS
No
Molecular Formula
C12H14O6S
Molecular Weight
286.300000
Exact Mass
286.051109
SMILES
CCOC(=O)C1=C2C(=C(S1)C(=O)OCC)OCCO2
InChI
InChI=1S/C12H14O6S/c1-3-15-11(13)9-7-8(18-6-5-17-7)10(19-9)12(14)16-4-2/h3-6H2,1-2H3
InChIKey
BLYQDJZMMFOERZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
67.22
TPSA
71.06

LogP / Solubility

WLOGP
1.87
MLOGP
1.66
XLogP3
2.4
Consensus LogP
1.98
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-3.14

Drug-likeness / Medicinal Chemistry

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

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