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CAS 2976-34-3 Methyl 2-Nitrophenyl Sulfone molecular structure lightbox
CAS RN: 2976-34-3

Methyl 2-Nitrophenyl Sulfone

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250128 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-132918
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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: 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 2976-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

2976-34-3 / nitromethylsulfonylbenzene

Standard CAS: 2976-34-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2976-34-3
Multi CAS
Yes
Molecular Formula
C7H7NO4S
Molecular Weight
201.200000
Exact Mass
201.009579
InChI
InChI=1S/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
ADKLJTCVZHUANG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
45.49
TPSA
77.28

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
1.1
Consensus LogP
0.8
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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