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CAS 612-75-9 3,3′-Dimethylbiphenyl molecular structure lightbox
CAS RN: 612-75-9

3,3′-Dimethylbiphenyl

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250105 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250318 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-169986
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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: 25g
  • Available purity: ≥98%
  • 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 612-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

612-75-9 / 1-methyl-3-(3-methylphenyl)benzene

Standard CAS: 612-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
612-75-9
Multi CAS
No
Molecular Formula
C14H14
Molecular Weight
182.260000
Exact Mass
182.109550
InChI
InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKey
GVEDOIATHPCYGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
61.35
TPSA
0.0000

LogP / Solubility

WLOGP
3.97
MLOGP
3.49
XLogP3
4.3
Consensus LogP
3.92
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.01

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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