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CAS 129425-81-6 MSA-2 molecular structure lightbox
CAS RN: 129425-81-6

MSA-2

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 100mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250210 10mg In stock Shanghai Inquiry
Batchno.20250310 1g In stock Shanghai Inquiry
Batchno.20260522 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250607 25mg In stock Shanghai Inquiry
Batchno.20250504 50mg In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-036452
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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: 0.1g, 0.25g, 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 129425-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

129425-81-6 / 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid

Standard CAS: 129425-81-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129425-81-6
Multi CAS
No
Molecular Formula
C14H14O5S
Molecular Weight
294.320000
Exact Mass
294.056195
SMILES
COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC(=O)O)OC
InChI
InChI=1S/C14H14O5S/c1-18-10-5-8-6-13(9(15)3-4-14(16)17)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKey
APCLRHPWFCQIMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.13
TPSA
72.83

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.3
Consensus LogP
2.63
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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