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CAS 2061980-01-4 XMU-MP-1 molecular structure lightbox
CAS RN: 2061980-01-4

XMU-MP-1

Product Availability

Choose a grade to view its available package options.

10 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20260531 10mg In stock Shanghai Inquiry
Batchno.20251028 1g Out of stock Inquiry
Batchno.20250728 1mg In stock Shanghai Inquiry
Batchno.20260502 250mg Out of stock Inquiry
Batchno.20250320 25mg In stock Shanghai Inquiry
Batchno.20251012 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20250309 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251011 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 1ml In stock Inquiry
  • Product code: SSC-097205
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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: 0.25g
  • 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 2061980-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

2061980-01-4 / 4-[(2,9-dimethyl-8-oxo-6-thia-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-13-yl)amino]benzenesulfonamide

Standard CAS: 2061980-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2061980-01-4
Multi CAS
No
Molecular Formula
C17H16N6O3S2
Molecular Weight
416.500000
Exact Mass
416.072531
SMILES
CN1C2=C(C(=O)N(C3=CN=C(N=C31)NC4=CC=C(C=C4)S(=O)(=O)N)C)SC=C2
InChI
InChI=1S/C17H16N6O3S2/c1-22-12-7-8-27-14(12)16(24)23(2)13-9-19-17(21-15(13)22)20-10-3-5-11(6-4-10)28(18,25)26/h3-9H,1-2H3,(H2,18,25,26)(H,19,20,21)
InChIKey
YRDHKIFCGOZTGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
2
Molar refractivity
108.25
TPSA
121.52

LogP / Solubility

WLOGP
2.29
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.04
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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