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CAS 6623-98-9 methyl 2-isopropylbenzoate molecular structure lightbox
CAS RN: 6623-98-9

methyl 2-isopropylbenzoate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 100mg In stock Shanghai Inquiry
Batchno.20260109 1g In stock Shanghai Inquiry
Batchno.20250127 250mg In stock Shanghai Inquiry
Batchno.20260209 5g In stock Shanghai Inquiry
  • Product code: SSC-175872
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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, 0.25g, 1g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 6623-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 4 In Stock Hong Kong Inquiry
0.25g ≥95% 3 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

6623-98-9 / methyl 2-propan-2-ylbenzoate

Standard CAS: 6623-98-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6623-98-9
Multi CAS
Yes
Molecular Formula
C11H14O2
Molecular Weight
178.230000
Exact Mass
178.099380
InChI
InChI=1S/C11H14O2/c1-8(2)9-6-4-5-7-10(9)11(12)13-3/h4-8H,1-3H3
InChIKey
IXWYTYPBELXGLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.87
TPSA
26.3

LogP / Solubility

WLOGP
2.6
MLOGP
2.28
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-1.96

Drug-likeness / Medicinal Chemistry

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

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