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CAS 1290627-07-4 Cis-7-(Toluene-4-Sulfonyl)-1,3A,4,5,6,7,8,8B-Octahydro-2H-3-Thia-2,7-Diaza-As-Indacene 3,3-Dioxide molecular structure lightbox
CAS RN: 1290627-07-4

Cis-7-(Toluene-4-Sulfonyl)-1,3A,4,5,6,7,8,8B-Octahydro-2H-3-Thia-2,7-Diaza-As-Indacene 3,3-Dioxide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250517 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-036261
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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 1290627-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1290627-07-4 / (3aR,8bR)-7-(4-methylphenyl)sulfonyl-1,2,3a,4,5,6,8,8b-octahydropyrrolo[3,4-e][1,2]benzothiazole 3,3-dioxide

Standard CAS: 1290627-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1290627-07-4
Multi CAS
No
Molecular Formula
C16H20N2O4S2
Molecular Weight
368.500000
Exact Mass
368.086449
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)[C@@H]4CNS(=O)(=O)[C@@H]4CC3
InChI
InChI=1S/C16H20N2O4S2/c1-11-2-5-13(6-3-11)24(21,22)18-9-12-4-7-16-14(15(12)10-18)8-17-23(16,19)20/h2-3,5-6,14,16-17H,4,7-10H2,1H3/t14-,16+/m0/s1
InChIKey
BLAHAZOGZYPHSN-GOEBONIOSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.4
TPSA
83.55

LogP / Solubility

WLOGP
1.01
MLOGP
0.91
XLogP3
0.2
Consensus LogP
0.71
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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