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CAS 1280210-80-1 Pyrrolo[3,​4-​c]​pyrazole, 2,​4,​5,​6-​tetrahydro-​2-​(methylsulfonyl)​-​, benzenesulfonate molecular structure lightbox
CAS RN: 1280210-80-1

Pyrrolo[3,​4-​c]​pyrazole, 2,​4,​5,​6-​tetrahydro-​2-​(methylsulfonyl)​-​, benzenesulfonate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260507 250mg / 1g / 5g / 25g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-035399
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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, 5g
  • 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 1280210-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1280210-80-1 / benzenesulfonic acid;2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

Standard CAS: 1280210-80-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1280210-80-1
Multi CAS
No
Molecular Formula
C12H15N3O5S2
Molecular Weight
345.400000
Exact Mass
345.045313
SMILES
CS(=O)(=O)N1C=C2CNCC2=N1.C1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C6H9N3O2S.C6H6O3S/c1-12(10,11)9-4-5-2-7-3-6(5)8-9;7-10(8,9)6-4-2-1-3-5-6/h4,7H,2-3H2,1H3;1-5H,(H,7,8,9)
InChIKey
PKMDOTHXIGJTKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
79.27
TPSA
118.36

LogP / Solubility

WLOGP
0.23
MLOGP
0.22
XLogP3
0.23
Consensus LogP
0.23
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (97.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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