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CAS 69535-85-9 4-(2-Methylphenyl)-3-Methylbenzoic acid molecular structure lightbox
CAS RN: 69535-85-9

4-(2-Methylphenyl)-3-Methylbenzoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-179245
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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 69535-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

69535-85-9 / 3-methyl-4-(2-methylphenyl)benzoic acid

Standard CAS: 69535-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69535-85-9
Multi CAS
No
Molecular Formula
C15H14O2
Molecular Weight
226.270000
Exact Mass
226.099380
InChI
InChI=1S/C15H14O2/c1-10-5-3-4-6-13(10)14-8-7-12(15(16)17)9-11(14)2/h3-9H,1-2H3,(H,16,17)
InChIKey
ZGBAXFOVTPCBRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.31
TPSA
37.3

LogP / Solubility

WLOGP
3.67
MLOGP
3.23
XLogP3
3.8
Consensus LogP
3.57
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

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

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