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CAS 35480-95-6 4-Isopropyl-2-nitrobenzoic acid molecular structure lightbox
CAS RN: 35480-95-6

4-Isopropyl-2-nitrobenzoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250305 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-142493
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 1g, 0.25g, 0.1g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 35480-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 3 In Stock Shanghai Inquiry
10g ≥97% 3 In Stock Shanghai Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry

35480-95-6 / 2-nitro-4-propan-2-ylbenzoic acid

Standard CAS: 35480-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35480-95-6
Multi CAS
No
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
InChI
InChI=1S/C10H11NO4/c1-6(2)7-3-4-8(10(12)13)9(5-7)11(14)15/h3-6H,1-2H3,(H,12,13)
InChIKey
LMEMHNYHGJJMEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.14
TPSA
80.44

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

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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